Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 1.00 |
| ▸ | SRC | P12931 | 2/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28287395 | 0.81 | EGFR (0.68) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL18160178 | 0.81 | EGFR (0.68) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL29988920 | 0.79 | EGFR (0.66) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL9051693 | 0.79 | EGFR (0.66) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL28287467 | 0.76 | EGFR (0.61) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL4225120 | 0.75 | EGFR (0.60) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL4217869 | 0.75 | EGFR (0.60) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL5788230 | 0.73 | TUBB4A (0.58) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL28244660 | 0.73 | EGFR (0.57) | EGFRSRCPTGS2TUBB4ATUBB | |
| SCHEMBL4189420 | 0.72 | EGFR (0.56) | EGFRSRCPTGS2ALDH1A1IDO1 |
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 |