Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27859257 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1B1KDM1ALRRK2ERN1 | |
| SCHEMBL1898066 | 0.80 | CYP1A1 (0.44) | CYP1A1CYP1B1KDM1ALRRK2PGR | |
| SCHEMBL13362350 | 0.80 | CYP11B2 (0.56) | CYP1A1CYP1B1ERN1CYP11B1CYP11B2 | |
| SCHEMBL30338748 | 0.80 | CYP11B2 (0.56) | CYP1A1CYP1B1ERN1CYP11B1CYP11B2 | |
| SCHEMBL30338912 | 0.76 | CYP1A1 (0.63) | CYP1A1CYP1B1CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL24785334 | 0.75 | KDM1A (0.41) | CYP1A1CYP1B1KDM1ALRRK2PGR | |
| SCHEMBL30103004 | 0.75 | KDM1A (0.41) | CYP1A1CYP1B1KDM1ALRRK2PGR | |
| SCHEMBL24785335 | 0.75 | KDM1A (0.41) | CYP1A1CYP1B1KDM1ALRRK2PGR | |
| SCHEMBL6606854 | 0.73 | CYP1A1 (0.55) | CYP1A1CYP1B1KDM1APGRCYP1A2 | |
| SCHEMBL22044476 | 0.73 | KDM4E (0.55) | CYP1A1CYP1B1KDM1ALRRK2PGR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022257960-A1 | BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES | 武汉人福创新药物研发中心有限公司 | 2022-12-15 | — | — | WO | disclosed |
| CN-115448913-A | Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases | 武汉人福创新药物研发中心有限公司 | 2022-12-09 | — | — | CN | disclosed |