Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL27361629 | 0.83 | HPGD (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL12890296 | 0.79 | ALDH1A1 (0.43) | CYP1A2HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1532612 | 0.78 | HDAC3 (0.41) | HDAC3HDAC1HDAC2HDAC6KDM4E | |
| SCHEMBL14753612 | 0.77 | HDAC3 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL27942339 | 0.77 | HDAC3 (0.42) | CYP2C9HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL7004600 | 0.77 | CCNC (0.42) | HDAC3HDAC1HDAC2HDAC6KDM4E | |
| SCHEMBL1648472 | 0.75 | KDM4E (0.45) | HDAC3HDAC1HDAC2HDAC6KDM4E | |
| SCHEMBL30390174 | 0.74 | — | — | |
| SCHEMBL309452 | 0.74 | — | — | |
| SCHEMBL2490236 | 0.74 | KMT2A (0.47) | KMT2AMEN1MAPTALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024050433-A1 | ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2024-03-07 | — | — | WO | disclosed |