Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.45 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 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 | |
|---|---|---|---|---|
| SCHEMBL5886767 | 0.92 | ALDH1A1 (0.38) | PARP10PARP15RXRACSNK2A1MAPK1 | |
| SCHEMBL5887052 | 0.91 | PARP10 (0.39) | PARP10PARP15RXRAMAPK1ALDH1A1 | |
| SCHEMBL5887098 | 0.88 | PARP10 (0.37) | PARP10PARP15RXRAMAPK1ALDH1A1 | |
| SCHEMBL5886936 | 0.88 | MAOB (0.39) | ALDH1A1CYP1A2CYP3A4USP2CLK4 | |
| SCHEMBL5887312 | 0.88 | POLB (0.48) | MAPK1ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL5887577 | 0.87 | ALDH1A1 (0.47) | MAPK1ALDH1A1CYP1A2CYP3A4USP2 | |
| SCHEMBL5887103 | 0.82 | MAPK14 (0.35) | RXRAALDH1A1CYP3A4KMT2ACYP2C9 | |
| SCHEMBL5887357 | 0.77 | MAPK14 (0.47) | ALDH1A1CYP3A4KMT2AMEN1POLB | |
| SCHEMBL5887013 | 0.76 | TTK (0.40) | TSHRMAPT | |
| SCHEMBL5886768 | 0.76 | HPGD (0.47) | ALDH1A1CYP3A4KMT2AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-7019002-B2 | Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents | PHARMACIA & UPJOHN, S.P.A. (IT) | 2006-03-28 | — | — | US | disclosed |