Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29886728 | 1.00 | PTPN1 (0.61) | PTPN1CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL30238599 | 0.86 | KDM4E (0.47) | PTPN1CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL21694387 | 0.86 | KDM4E (0.47) | PTPN1CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL8533379 | 0.83 | SMN1; SMN2 (0.61) | PTPN1CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL30237946 | 0.80 | PTPN11 (0.50) | HPGDSMN1; SMN2KDM4EALDH1A1NPC1 | |
| SCHEMBL21694382 | 0.80 | PTPN11 (0.50) | HPGDSMN1; SMN2KDM4EALDH1A1NPC1 | |
| SCHEMBL1857883 | 0.80 | CYP1A2 (0.61) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL11946959 | 0.79 | PTPN1 (0.57) | PTPN1CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL1519941 | 0.79 | SMYD3 (0.44) | KDM4EHDAC1CYP3A4 | |
| SCHEMBL397191 | 0.79 | GSK3B (0.50) | CES2CES1HPGDSMN1; SMN2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974721-B | Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone | 平顶山学院 | 2024-07-02 | — | — | CN | claimed |
| CN-115974721-A | Method for synthesizing 2-carbonyl substituted nitrile compound through 2,2,2-trifluoroethyl ketone | 平顶山学院 | 2023-04-18 | — | — | CN | claimed |
| CN-115974721-B | Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone | 平顶山学院 | 2024-07-02 | — | — | CN | disclosed |
| WO-2023210772-A1 | PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR, AND COMPOUND | 富士フイルム株式会社 | 2023-11-02 | — | — | WO | disclosed |
| CN-115974721-A | Method for synthesizing 2-carbonyl substituted nitrile compound through 2,2,2-trifluoroethyl ketone | 平顶山学院 | 2023-04-18 | — | — | CN | disclosed |
| US-11578071-B2 | Preparation of pyrazolo[3,4-B]pyridines as antimalarials | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2023-02-14 | — | — | US | disclosed |
| CN-110272400-B | Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof | 福州大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-107024834-B | Compound and coloring composition | 住友化学株式会社 | 2021-11-23 | — | — | CN | disclosed |
| US-20210101901-A1 | PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS | CAL POLY CORPORATION | 2021-04-08 | — | — | US | disclosed |
| WO-2021067967-A1 | PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2021-04-08 | — | — | WO | disclosed |
| CN-107586469-B | Pigment composition, coloring composition, and coloring curable composition | 住友化学株式会社 | 2021-04-06 | — | — | CN | disclosed |
| EP-1401441-A2 | ALLOSTERIC ADENOSINE RECEPTOR MODULATORS | King Pharmaceuticals Research and Development Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| US-20020147231-A1 | Allosteric adenosine receptor modulators | KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. | 2002-10-10 | — | — | US | disclosed |
| US-20020147185-A1 | Allosteric adenosine receptor modulators | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. | 2002-10-10 | — | — | US | disclosed |
| US-20020143004-A1 | Allosteric adenosine receptor modulators | KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. | 2002-10-03 | — | — | US | disclosed |
| WO-2002074056-A2 | ALLOSTERIC ADENOSINE RECEPTOR MODULATORS | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) | 2002-09-26 | — | — | WO | disclosed |
| US-20010047008-A1 | Allosteric adenosine receptor modulators | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. | 2001-11-29 | — | — | US | disclosed |
| EP-0491137-B1 | Synthesis of 2-aryl-5-(trifluoromethyl)pyrroles useful as pesticidal agents and as intermediates for the preparation of said agents | AMERICAN CYANAMID CO (US) | 1995-12-27 | — | — | EP | disclosed |
| US-5128485-A | SYNTHESIS OF 2-ARYL-5-(TRIFLUOROMETHYL)PYRROLES USEFUL AS PESTICIDAL AGENTS AND AS INTERMEDIATES FOR THE PREPARATION OF SAID AGENTS | AMERICAN CYANAMID COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| EP-0491137-A2 | Synthesis of 2-aryl-5-(trifluoromethyl)pyrroles useful as pesticidal agents and as intermediates for the preparation of said agents | AMERICAN CYANAMID COMPANY (US) | 1992-06-24 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020147231-A1 | Allosteric adenosine receptor modulators | ADORA2A, ADORA1, ADORA2B | PTPN1 2249/4885CES2 3503/4885CES1 2309/4885 |
| US-20210101901-A1 | PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS | PNPO, NOX3, G6PD | PTPN1 1651/4885CES2 3291/4885CES1 2620/4885 |
| US-11578071-B2 | Preparation of pyrazolo[3,4-B]pyridines as antimalarials | PNPO, NOX3, G6PD | PTPN1 1651/4885CES2 3291/4885CES1 2620/4885 |
| US-20010047008-A1 | Allosteric adenosine receptor modulators | ADORA2A, ADORA1, ADORA2B | PTPN1 2097/4885CES2 3038/4885CES1 1781/4885 |
| US-20020143004-A1 | Allosteric adenosine receptor modulators | ADORA2A, ADORA1, ADORA2B | PTPN1 1935/4885CES2 3544/4885CES1 2118/4885 |
| US-20020147185-A1 | Allosteric adenosine receptor modulators | ADORA2A, ADORA1, ADORA2B | PTPN1 1935/4885CES2 3544/4885CES1 2118/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.