Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24606354 | 0.73 | MAPK1 (0.43) | SLC18A3SIGMAR1AKR1B1 | |
| SCHEMBL29272588 | 0.72 | HTR2A (0.43) | CYP17A1CYP3A4CYP11B2CHRNA7CYP11B1 | |
| SCHEMBL9577577 | 0.72 | SIGMAR1 (0.39) | KDM1ASIGMAR1HDAC9 | |
| SCHEMBL19130584 | 0.71 | HDAC9 (0.50) | CYP17A1CYP3A4CYP11B2KDM1ASIGMAR1 | |
| SCHEMBL5796055 | 0.71 | HDAC9 (0.50) | CYP17A1CYP3A4CYP11B2KDM1ASIGMAR1 | |
| SCHEMBL7885283 | 0.70 | BRD4 (0.40) | CYP17A1CYP3A4CYP11B2KDM1AALDH1A1 | |
| SCHEMBL9845328 | 0.70 | AKR1B1 (0.47) | TP53AKR1B1 | |
| SCHEMBL18595719 | 0.69 | PIN1 (0.45) | PIN1KDM1A | |
| SCHEMBL28076879 | 0.69 | CYP3A4 (0.56) | CYP3A4SIGMAR1AKR1B1 | |
| SCHEMBL24606353 | 0.67 | OPRM1 (0.43) | — |
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-5114964-A | Aryl-substituted benzocycloalkyl-derived anti-atherosclerotic agents | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-05-19 | — | — | US | disclosed |