Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | LPL | P06858 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL332100 | 0.85 | GFER (0.42) | TAAR1CYP2A6ALDH1A1L3MBTL1CA2 | |
| SCHEMBL10839974 | 0.83 | LPL (0.50) | TAAR1TP53LPLLIPGALDH1A1 | |
| SCHEMBL6546733 | 0.82 | TAAR1 (0.68) | TAAR1TP53CYP2A6LPLLIPG | |
| SCHEMBL21119105 | 0.79 | CA2 (0.54) | TP53LPLLIPGALDH1A1CA2 | |
| SCHEMBL36295 | 0.78 | TP53 (0.67) | TAAR1TP53CYP2A6LPLLIPG | |
| SCHEMBL5605676 | 0.78 | IDO1 (0.62) | TAAR1CYP2A6ALDH1A1L3MBTL1TDP1 | |
| SCHEMBL327381 | 0.77 | TAAR1 (0.62) | TAAR1TP53CYP2A6LPLLIPG | |
| SCHEMBL11154258 | 0.77 | TAAR1 (0.62) | TAAR1TP53CYP2A6LPLLIPG | |
| SCHEMBL171069 | 0.77 | IDO1 (0.60) | TAAR1TP53CYP2A6LPLLIPG | |
| SCHEMBL10575050 | 0.77 | TAAR1 (0.62) | TAAR1TP53CYP2A6LPLLIPG |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3650246-A1 | SULPHUR CROSS-LINKABLE RUBBER MIXTURE, VULCANIZATE AND VEHICLE TYRE | Continental Reifen Deutschland GmbH (DE) | 2020-05-13 | — | — | EP | disclosed |
| CN-107531906-B | Novel optical material composition containing mercaptan compound | 三菱瓦斯化学株式会社 | 2018-12-04 | — | — | CN | disclosed |
| CN-107531906-A | Novel optical material composition containing mercaptan compound | 三菱瓦斯化学株式会社 | 2018-01-02 | — | — | CN | disclosed |
| EP-2411397-B1 | ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |
| US-5420128-A | Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0503099-A1 | PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |