Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL207540 | 0.83 | CYP2A6 (0.38) | CYP2A6TSHRSMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL20895113 | 0.74 | ALDH1A1 (0.38) | TSHRSMN1; SMN2ALDH1A1CYP3A4ALOX15 | |
| SCHEMBL145983 | 0.74 | HSP90AA1 (0.39) | CYP2A6ALDH1A1TDP1KDM4EAHR | |
| SCHEMBL208842 | 0.74 | CYP1A2 (0.38) | CYP2A6ALDH1A1TDP1KDM4EAHR | |
| SCHEMBL169044 | 0.73 | — | — | |
| SCHEMBL9426949 | 0.73 | FLT1 (0.31) | AHR | |
| SCHEMBL533196 | 0.71 | AKR1C3 (0.32) | — | |
| SCHEMBL851944 | 0.71 | — | — | |
| SCHEMBL467025 | 0.69 | CYP2A6 (0.44) | CYP2A6SMN1; SMN2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL385641 | 0.69 | BACE1 (0.49) | CYP2A6ALDH1A1CYP3A4TDP1KDM4E |
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 406 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118164975-A | Quaternary ammonium salt oxazolidinone derivative and pharmaceutically acceptable salt thereof, preparation method and application | 中国医学科学院医药生物技术研究所 | 2024-06-11 | — | — | CN | claimed |
| CN-115716849-A | Synthetic method of aryl phosphorus compound | 海南大学 | 2023-02-28 | — | — | CN | claimed |
| US-20230052586-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-02-16 | — | — | US | claimed |
| EP-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | claimed |
| CN-113072467-B | Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor | 南方医科大学 | 2022-04-12 | — | — | CN | claimed |
| WO-2021249969-A1 | COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES | MERCK PATENT GMBH (DE) | 2021-12-16 | — | — | WO | claimed |
| EP-3898588-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | Merck Patent GmbH (DE) | 2021-10-27 | — | — | EP | claimed |
| CN-113072467-A | Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor | 南方医科大学 | 2021-07-06 | — | — | CN | claimed |
| WO-2020127960-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | claimed |
| EP-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | claimed |
| WO-1999067221-A1 | COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS | ELAN PHARMACEUTICALS, INC. (US) | 1999-12-29 | — | — | WO | claimed |
| WO-1999066934-A1 | CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1999-12-29 | — | — | WO | claimed |
| WO-1999067220-A1 | COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS | ELAN PHARMACEUTICALS, INC. (US) | 1999-12-29 | — | — | WO | claimed |
| EP-0951466-A2 | CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 1999-10-27 | — | — | EP | claimed |
| EP-0942924-A2 | METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS | Elan Pharmaceuticals, Inc. (US) | 1999-09-22 | — | — | EP | claimed |
| WO-1999032453-A1 | POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1999-07-01 | — | — | WO | claimed |
| WO-1998038177-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE | ELAN PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | claimed |
| WO-1998022494-A9 | METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS | — | 1998-08-20 | — | — | WO | claimed |
| WO-1998028268-A2 | CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 1998-07-02 | — | — | WO | claimed |
| WO-1998022494-A2 | METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS | ELAN PHARMACEUTICALS, INC. (US) | 1998-05-28 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20230052586-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | BRCA1, MYC, PCNA | CYP2A6 2603/4885TSHR 3500/4885SMN1; SMN2 3127/4885 |
“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.