Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10595089 | 0.86 | NPC1 (0.55) | NPC1RAB9AALDH1A1GAAL3MBTL1 | |
| SCHEMBL10805915 | 0.73 | CYP1A2 (0.49) | RAB9AALDH1A1GAAMEN1KMT2A | |
| SCHEMBL2726850 | 0.71 | MEN1 (0.65) | NPC1RAB9AGAAL3MBTL1MEN1 | |
| SCHEMBL31277641 | 0.70 | GRM5 (0.56) | NPC1RAB9AALDH1A1GAAL3MBTL1 | |
| SCHEMBL10930572 | 0.70 | NPC1 (0.50) | NPC1RAB9AGAAL3MBTL1MEN1 | |
| SCHEMBL10162070 | 0.70 | NPC1 (0.76) | NPC1RAB9AGAAL3MBTL1MEN1 | |
| SCHEMBL30071250 | 0.68 | GAA (0.76) | NPC1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL626827 | 0.68 | GAA (0.76) | NPC1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL9384187 | 0.67 | NPC1 (0.72) | NPC1RAB9AALDH1A1GAAL3MBTL1 | |
| SCHEMBL519066 | 0.67 | RAB9A (0.73) | NPC1RAB9AALDH1A1GAAL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5002961-A | Antiischemic Agents, Preventing Reperfusion Injuries | MERRELL DOW PHARMACEUTICALS (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0312960-A2 | Method for reducing reperfusion injury with imidazol-2-thione-carboxamides | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-26 | — | — | EP | disclosed |