Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL1426754 | 0.89 | TSHR (0.50) | CYP19A1MAPK1TSHRHIF1ABRD4 | |
| Diphenylmethanol SCHEMBL11366184 | 0.89 | MEN1 (0.45) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| Bis(4-Hydroxyphenyl)Methanol SCHEMBL3642317 | 0.87 | CYP3A4 (0.62) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL36217 | 0.82 | CYP19A1 (0.56) | CYP3A4CYP19A1MAPK1ESR1ESR2 | |
| Parachlorophenol SCHEMBL28864 | 0.81 | — | — | |
| Parachlorophenol SCHEMBL7730292 | 0.81 | MAPK1 (0.65) | CYP3A4MAPK1ESR1ESR2HIF1A | |
| Parachlorophenol SCHEMBL6119005 | 0.81 | MAPK1 (0.65) | CYP3A4MAPK1ESR1ESR2HIF1A | |
| Parachlorophenol SCHEMBL30086664 | 0.81 | — | — | |
| SCHEMBL477349 | 0.80 | IDO1 (0.54) | TSHRHPGD | |
| SCHEMBL477552 | 0.80 | IDO1 (0.54) | TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-116444445-A | Quinazolinone compound and preparation method thereof | 河北科技大学 | 2023-07-18 | — | — | CN | disclosed |
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |