Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11768308 | 0.88 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL11764626 | 0.88 | NPC1 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL5804153 | 0.85 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL11765664 | 0.82 | NPC1 (0.67) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL5061930 | 0.82 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL7600277 | 0.82 | GABRA2 (0.66) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL14406158 | 0.81 | NPC1 (0.60) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL11765733 | 0.81 | NPC1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL11763637 | 0.81 | NPC1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL9587543 | 0.80 | JMJD6 (0.59) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4042706-A | Novel anti-inflammatory pyrazole derivatives and preparation thereof | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-08-16 | — | — | US | disclosed |