Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11298076 | 0.75 | TRPA1 (0.36) | TRPA1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL11298063 | 0.75 | TRPA1 (0.36) | TRPA1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL15691492 | 0.70 | PDE3B (0.33) | NPC1RAB9A | |
| SCHEMBL23508880 | 0.68 | DDB1 (0.30) | — | |
| SCHEMBL1255973 | 0.67 | — | — | |
| SCHEMBL7178792 | 0.64 | TSHR (0.38) | ACHE | |
| SCHEMBL9654943 | 0.64 | TRPA1 (0.34) | TRPA1 | |
| SCHEMBL449772 | 0.64 | NPC1 (0.38) | TRPA1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL29861109 | 0.64 | — | — | |
| SCHEMBL60763 | 0.64 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015009699-A1 | METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS | KETTER PATRICK (US) | 2015-01-22 | — | — | WO | claimed |
| EP-3115361-B1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2019-10-23 | — | — | EP | disclosed |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-3115361-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015131856-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2015-09-11 | — | — | WO | disclosed |
| US-8168212-B2 | Topical compositions comprising non-proteogenic amino acids and methods of treating skin | AVON PRODUCTS, INC (US) | 2012-05-01 | — | — | US | disclosed |
| US-8168212-B2 | Topical compositions comprising non-proteogenic amino acids and methods of treating skin | AVON PRODUCTS, INC (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100261769-A1 | Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin | AVON PRODUCTS, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-20100261769-A1 | Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin | AVON PRODUCTS, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-20080039625-A1 | Screening Methods | LAUTENS MARK | 2008-02-14 | — | — | US | disclosed |
| EP-1817283-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | Lautens, Mark (CA) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006047888-A1 | 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2006-05-11 | — | — | WO | disclosed |
| US-5306721-A | Immunostimulants, viricides | ARZNEIMITTELERK DRESDEN G.M.B.H. (DE) | 1994-04-26 | — | — | US | disclosed |
| WO-1990006309-A1 | HETEROAZABENZOBICYCLIC CARBOXAMIDE 5-HT3, ANTAGONISTS | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1990-06-14 | — | — | WO | disclosed |
| US-4933445-A | Heteroazabenzobicyclic carboxamide 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1990-06-12 | — | — | US | disclosed |
| US-4119777-A | BY OXIDATION OF A THIOAMIDE DERIVATIVE | FUJI PHOTO FILM CO., LTD. (JP) | 1978-10-10 | — | — | US | 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 (4 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-20080039625-A1 | Screening Methods | CBR3, ZKSCAN2, CRBN | TRPA1 856/4885NPC1 1583/4885RAB9A 444/4885 |
| US-20100261769-A1 | Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin | LOXL1, LOXL2, LOXL3 | TRPA1 3087/4885NPC1 3090/4885RAB9A 3709/4885 |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | CYP11B2, CYP11B1, ADCYAP1R1 | TRPA1 704/4885NPC1 64/4885RAB9A 1489/4885 |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | CYP11B2, CYP11B1, ADCYAP1R1 | TRPA1 704/4885NPC1 64/4885RAB9A 1489/4885 |
“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.