Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 1.00 |
| ▸ | SRC | P12931 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.45 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9275382 | 0.76 | EGFR (0.75) | EGFRSRCALDH1A1KDM4EHPGD | |
| SCHEMBL19695118 | 0.76 | TP53 (0.64) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL1388673 | 0.76 | EGFR (0.74) | EGFRSRCALDH1A1GAAHSD17B10 | |
| SCHEMBL1388345 | 0.75 | EGFR (1.00) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL6701145 | 0.72 | KDM4E (0.77) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL4418592 | 0.72 | KDM4E (0.77) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL5405005 | 0.71 | EGFR (0.55) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL5408177 | 0.71 | EGFR (0.55) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL5408170 | 0.71 | EGFR (0.55) | EGFRSRCALDH1A1GAAKDM4E | |
| SCHEMBL5405002 | 0.71 | EGFR (0.55) | EGFRSRCALDH1A1GAAKDM4E |
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 | 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 |