Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.66 |
| ▸ | RECQL | P46063 | 1/20 | 0.66 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | NAMPT | P43490 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8999317 | 0.87 | SRC (0.75) | NPC1ALDH1A1SMN1; SMN2EGFRFGFR1 | |
| SCHEMBL8999141 | 0.86 | NPC1 (0.80) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10676012 | 0.81 | RAB9A (0.71) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2660935 | 0.78 | EGFR (0.76) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9165502 | 0.75 | HTR2C (0.61) | NPC1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8998915 | 0.72 | SRC (0.81) | NPC1ALDH1A1EGFRFGFR1SRC | |
| SCHEMBL1527703 | 0.71 | SRC (1.00) | NPC1ALDH1A1EGFRFGFR1SRC | |
| Dimethylamine SCHEMBL8999145 | 0.71 | NPC1 (0.64) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4658577 | 0.71 | NPC1 (0.68) | NPC1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8999160 | 0.71 | NPC1 (0.63) | NPC1ALDH1A1MAPTMEN1KMT2A |
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 |