Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 4/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21998159 | 0.89 | BRD4 (0.45) | BRD4MCHR1HDAC1HDAC2RXRA | |
| SCHEMBL22926448 | 0.88 | BRD4 (0.44) | BRD4MCHR1HDAC1HDAC2RXRA | |
| SCHEMBL23807111 | 0.82 | BRD4 (0.42) | BRD4MCHR1HDAC1HDAC2RXRA | |
| SCHEMBL30043816 | 0.78 | MCHR1 (0.39) | MCHR1CYP3A4CYP2C19ALDH1A1ALDH1A3 | |
| SCHEMBL23497968 | 0.78 | MCHR1 (0.39) | MCHR1CYP3A4CYP2C19ALDH1A1ALDH1A3 | |
| SCHEMBL30322550 | 0.76 | MAPT (0.40) | BRD4MCHR1HDAC1HDAC2MAPK1 | |
| SCHEMBL17390028 | 0.73 | FASN (0.61) | FASN | |
| SCHEMBL21316122 | 0.71 | FASN (0.44) | MAPK1FASN | |
| SCHEMBL22926182 | 0.70 | HDAC1 (0.43) | BRD4HDAC1HDAC2RXRARXRB | |
| SCHEMBL28127752 | 0.68 | WNT1 (0.38) | BRD4MCHR1HDAC1HDAC2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3587406-B1 | 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER | FORMA THERAPEUTICS INC (US) | 2021-01-27 | — | — | EP | disclosed |