Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597587 | 0.75 | HSD17B10 (0.37) | ALDH1A1CYP1A2CYP2C19MAPTHPGD | |
| SCHEMBL7596854 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7596481 | 0.71 | SLC6A4 (0.36) | ALDH1A1CYP1A2CYP2C19MAPTHSD17B10 | |
| SCHEMBL7593413 | 0.69 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7181893 | 0.63 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21522910 | 0.63 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL21522850 | 0.63 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL10891234 | 0.62 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28902216 | 0.61 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28902217 | 0.61 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0690054-B1 | 1-Amino-2-cyclohexene derivatives and production process therefor | KURARAY CO (JP) | 2002-11-20 | — | — | EP | disclosed |
| US-5587486-A | CONDENSATION; CARBONYLATION; HYDROLYSIS; INTERMEDIATES IN THE PRODUCTION OF MEDICINAL AND AGRICULTURAL AGENTS | KURARAY CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0690054-A1 | 1-Amino-2-cyclohexene derivatives and production process therefor | KURARAY CO., LTD. (JP) | 1996-01-03 | — | — | EP | disclosed |