Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9548473 | 0.85 | CYP2A6 (0.50) | CYP11B1CYP11B2DDAH1NOS1MAPT | |
| SCHEMBL11479924 | 0.83 | DDAH1 (0.46) | CYP19A1CYP11B1CYP11B2DDAH1NOS1 | |
| SCHEMBL30849345 | 0.83 | DDAH1 (0.46) | CYP19A1CYP11B1CYP11B2DDAH1NOS1 | |
| SCHEMBL28034439 | 0.81 | DDAH1 (0.64) | CYP19A1DDAH1NOS1MAPTKMT2A | |
| SCHEMBL8361638 | 0.80 | LMNA (0.45) | RAB9AALDH1A1CYP1A2CYP3A4CYP2A6 | |
| SCHEMBL30038506 | 0.80 | CYP19A1 (0.41) | CYP19A1CYP11B1CYP11B2DDAH1NOS1 | |
| SCHEMBL1836417 | 0.78 | MKNK1 (0.57) | MAPTRAB9AALDH1A1GAAPKM | |
| SCHEMBL7266987 | 0.76 | NR1H2 (0.70) | NR1H2CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL543922 | 0.75 | NR1H2 (0.78) | NR1H2ESR1MAPTRAB9AKMT2A | |
| Diphenylsulfane SCHEMBL11499754 | 0.75 | NR1H2 (0.78) | NR1H2ESR1MAPTRAB9AKMT2A |
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-4455427-A | THROMBOXANE INHIBITORS | THE UPJOHN COMPANY (US) | 1984-06-19 | — | — | US | disclosed |
| EP-0069521-A2 | Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes | THE UPJOHN COMPANY (US) | 1983-01-12 | — | — | EP | disclosed |