Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9242057 | 1.00 | IDO1 (0.40) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL10815112 | 1.00 | IDO1 (0.40) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL10783696 | 1.00 | IDO1 (0.40) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL9242051 | 1.00 | IDO1 (0.40) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL3054375 | 0.95 | SLC18A3 (0.44) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL3056351 | 0.95 | SLC18A3 (0.44) | IDO1SLC18A3SIGMAR1GRIN2BDRD2 | |
| SCHEMBL10935693 | 0.91 | ESR2 (0.43) | IDO1ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL10935701 | 0.91 | ESR2 (0.43) | IDO1ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL10904861 | 0.91 | ESR2 (0.43) | IDO1ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL10935713 | 0.91 | ESR2 (0.43) | IDO1ESR1CYP3A4CYP2C9ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57165328-A | — | — | None | — | — | JP | disclosed |
| JP-S57165328-A | 4-SUBSTITUTED-(TRANS-4'-(TRANS-4\"-ALKYLCYLOHEXYL) CYCLOHEXYL)BENZENE | CHISSO CORP | 1982-10-12 | — | — | JP | disclosed |