Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GGT1 | P19440 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8999060 | 0.84 | NOTUM (0.43) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL8999216 | 0.80 | DRD3 (0.44) | ALDH1A1HPGDDRD2HTR2ADRD1 | |
| SCHEMBL8999080 | 0.77 | MAPK1 (0.42) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL8999234 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HPGDDRD2HTR2ADRD1 | |
| SCHEMBL1645515 | 0.67 | ALDH1A1 (0.50) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL11449146 | 0.66 | KDM4E (0.50) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL8998808 | 0.66 | MAPK1 (0.43) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL9951079 | 0.65 | NOTUM (0.41) | KDM4EALDH1A1TSHRACHEDRD2 | |
| SCHEMBL2131214 | 0.65 | RAB9A (0.55) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL28206950 | 0.65 | HTR2A (0.47) | MAPK1KDM4EPTGS2HSD17B10ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |