Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388603 | 0.78 | EGFR (0.62) | EGFRSRCALDH1A1GAALMNA | |
| SCHEMBL30600563 | 0.70 | OPRK1 (0.44) | WDR5ALDH1A1HSD17B10GAAMYC | |
| SCHEMBL28701831 | 0.70 | OPRK1 (0.44) | WDR5ALDH1A1HSD17B10GAAMYC | |
| SCHEMBL11780985 | 0.69 | HDAC4 (0.52) | EGFRSRCALDH1A1HPGDHSD17B10 | |
| SCHEMBL23892731 | 0.67 | AADAT (0.42) | WDR5CA12CA2CA4CA7 | |
| SCHEMBL8741397 | 0.67 | AADAT (0.37) | ALDH1A1HPGDKDM4ESCN9ASLC9A1 | |
| SCHEMBL11788765 | 0.67 | KDM4E (0.38) | ALDH1A1HPGDHSD17B10KDM4EGAA | |
| SCHEMBL17187046 | 0.64 | HDAC4 (0.64) | EGFRSRCALDH1A1GAALMNA | |
| SCHEMBL10743139 | 0.64 | MEN1 (0.40) | WDR5ALDH1A1HSD17B10CA12CA2 | |
| SCHEMBL8998983 | 0.64 | EGFR (0.64) | EGFRSRCALDH1A1HSD17B10GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |