Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL22084095 | 0.94 | ALDH1A1 (0.47) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL24213539 | 0.72 | PLAU (0.44) | ALDH1A1PARP10HSD17B10 | |
| SCHEMBL30516987 | 0.72 | ALDH1A1 (0.56) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL20644765 | 0.71 | CES2 (0.39) | ALDH1A1CYP2A6 | |
| SCHEMBL24196737 | 0.71 | IRAK4 (0.30) | — | |
| SCHEMBL19048679 | 0.71 | PARP10 (0.69) | ALDH1A1PARP10PARP3TRIM24TRIM33 | |
| SCHEMBL18962609 | 0.71 | LMNA (0.45) | ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL976904 | 0.71 | CYP2A6 (0.58) | ALDH1A1ALDH5A1ABATTRIM24TRIM33 | |
| SCHEMBL25288128 | 0.71 | CYP2A6 (0.58) | ALDH1A1ALDH5A1ABATTRIM24TRIM33 | |
| SCHEMBL1666706 | 0.71 | CYP2A6 (0.58) | ALDH1A1ALDH5A1ABATTRIM24TRIM33 |
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 |