Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9481208 | 1.00 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL13267179 | 0.84 | ALDH1A1 (0.55) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL9627951 | 0.82 | HSD11B1 (0.40) | NPC1RAB9AALDH1A1TSHRMAPT | |
| SCHEMBL9627942 | 0.82 | HSD11B1 (0.40) | NPC1RAB9AALDH1A1TSHRMAPT | |
| SCHEMBL27267183 | 0.82 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL30720642 | 0.82 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL12733062 | 0.80 | HPGD (0.53) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL30927 | 0.79 | ESR2 (0.55) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL12488363 | 0.78 | HDAC1 (0.56) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL16684739 | 0.78 | HDAC8 (0.61) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 |
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-5174921-A | BICYCLOHEXYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1992-12-29 | — | — | US | disclosed |