Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.54 |
| ▸ | RAB9A | P51151 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2176985 | 0.88 | NPC1 (0.59) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL12472220 | 0.82 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL2178196 | 0.80 | NPC1 (0.55) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL28294955 | 0.77 | ACHE (0.53) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL28294953 | 0.76 | NPC1 (0.49) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL28295000 | 0.76 | TRPV4 (0.57) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL2721000 | 0.76 | ATR (0.62) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL4166602 | 0.76 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL28151705 | 0.76 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EGPR55 | |
| SCHEMBL28296689 | 0.76 | NPC1 (0.48) | NPC1RAB9AALDH1A1KDM4EGPR55 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044033-B1 | A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES | SANOFI SA (FR) | 2012-02-08 | — | — | EP | disclosed |