Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.70 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL1388555 | 0.87 | EGFR (0.58) | EGFRSRCALOX12CYP3A4CYP2C9 | |
| SCHEMBL8999377 | 0.87 | EGFR (0.73) | EGFRSRCNOTUMALDH1A1CDC25A | |
| SCHEMBL1388695 | 0.82 | EGFR (1.00) | EGFRSRCPOLBLMNAL3MBTL1 | |
| SCHEMBL1388508 | 0.80 | EGFR (0.66) | EGFRSRCNOTUMLMNACDC25A | |
| SCHEMBL8998730 | 0.77 | EGFR (0.84) | EGFRSRCLMNASMN1; SMN2CDC25A | |
| SCHEMBL1388649 | 0.76 | EGFR (0.60) | EGFRSRCALDH1A1SMN1; SMN2CDC25A | |
| SCHEMBL1388665 | 0.75 | EGFR (0.76) | EGFRSRCLMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL14480554 | 0.75 | CYP1A2 (0.54) | CYP2C19CYP1A2ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL8998988 | 0.75 | CYP1A2 (0.51) | EGFRCYP1A2ALDH1A1PKMLMNA | |
| SCHEMBL1388433 | 0.73 | EGFR (0.67) | EGFRSRCCYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | claimed |
| JP-H08503450-A | — | — | 1996-04-16 | — | — | JP | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |