Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.79 |
| ▸ | RAB9A | P51151 | 4/20 | 0.79 |
| ▸ | RECQL | P46063 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3032330 | 0.91 | NPC1 (0.77) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL7476786 | 0.90 | NPC1 (0.74) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL9187561 | 0.89 | NPC1 (1.00) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL8778559 | 0.88 | NPC1 (0.72) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL9642715 | 0.87 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL535559 | 0.85 | RAB9A (0.72) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL13435257 | 0.84 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL13531827 | 0.84 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL29905043 | 0.82 | NPC1 (0.79) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL29707208 | 0.82 | NPC1 (0.79) | NPC1RAB9ARECQLALDH1A1KMT2A |
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-5639741-A | STEROIDS TREATING SKIN DISORDERS | MERCK & CO., INC. (US) | 1997-06-17 | — | — | US | claimed |
| EP-0649431-A4 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. | — | 1995-05-03 | — | — | EP | claimed |
| EP-0649431-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | claimed |
| WO-1993023038-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| CN-102464631-A | Piperazine substituted 1,3-disubstitued urea compounds and piperazine substituted amide compounds, preparation method, and use thereof | SHANGHAI INST MATERIA MEDICA | 2012-05-23 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |