Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.79 |
| ▸ | SRC | P12931 | 5/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8999391 | 0.88 | EGFR (1.00) | EGFRSRCADORA3CCNA2CDK2 | |
| SCHEMBL8999074 | 0.84 | EGFR (0.80) | EGFRSRCNPC1RAB9AKMT2A | |
| SCHEMBL3307083 | 0.81 | EGFR (0.67) | EGFRSRCADORA3CCNA2CDK2 | |
| SCHEMBL8999075 | 0.81 | EGFR (0.80) | EGFRSRCKMT2AMEN1GAA | |
| SCHEMBL397184 | 0.75 | KDM4E (0.53) | EGFRSRCNPC1RAB9AKMT2A | |
| SCHEMBL2069110 | 0.72 | KMT2A (0.78) | EGFRNPC1RAB9AKMT2AMEN1 | |
| SCHEMBL11442193 | 0.70 | EGFR (0.57) | EGFRSRCADORA3CCNA2CDK2 | |
| Carbazole SCHEMBL28283104 | 0.70 | KMT2A (0.73) | EGFRSRCADORA3NPC1RAB9A | |
| SCHEMBL11280137 | 0.69 | EGFR (0.56) | EGFRSRCADORA3NPC1RAB9A | |
| SCHEMBL24896433 | 0.69 | ADORA3 (0.57) | EGFRSRCADORA3CCNA2CDK2 |
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 |