Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10899791 | 0.80 | MAPK14 (0.45) | ALDH1A1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10902026 | 0.76 | MKNK2 (0.43) | NPC1RAB9AALDH1A1MAPTMAPK13 | |
| SCHEMBL10902490 | 0.76 | KMT2A (0.43) | NPC1RAB9AS1PR1S1PR3CHUK | |
| SCHEMBL10901540 | 0.76 | NPC1 (0.40) | NPC1RAB9AALDH1A1MAPTMAPK13 | |
| SCHEMBL10901637 | 0.73 | PDGFRB (0.48) | NPC1RAB9AMAPK13MAPK12MAPK11 | |
| SCHEMBL10902564 | 0.72 | MAPT (0.41) | NPC1RAB9AALDH1A1MAPTMAPK13 | |
| SCHEMBL10899410 | 0.71 | NPC1 (0.40) | NPC1RAB9AS1PR1ALDH1A1MAPT | |
| SCHEMBL9998180 | 0.70 | KIF11 (0.36) | KIF11EPHX2ALDH1A1MAPTPIM1 | |
| SCHEMBL28144159 | 0.70 | KIF11 (0.36) | KIF11EPHX2ALDH1A1MAPTPIM1 | |
| Hydrochloric Acid SCHEMBL7736740 | 0.69 | NISCH (0.56) | — |
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-4600719-A | Tetrahydropyridine and piperidine derivatives | CIBA GEIGY CORPORATION (US) | 1986-07-15 | — | — | US | disclosed |
| US-4210655-A | Anti-depressant benzofuranyl piperidines | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |