Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL217625 | 0.98 | ALDH1A1 (0.48) | ALDH1A1MAPK1MEN1KMT2ACYP3A4 | |
| SCHEMBL31518328 | 0.84 | NAMPT (0.45) | ALDH1A1CYP2C9HTR2AGSRTXNRD1 | |
| SCHEMBL4674685 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPK1MEN1KMT2ACYP3A4 | |
| SCHEMBL2798239 | 0.81 | MAPT (0.50) | ALDH1A1MAPK1CYP3A4PSEN1PSEN2 | |
| SCHEMBL25296150 | 0.80 | MAPK1 (0.56) | ALDH1A1MAPK1GAACA12CA2 | |
| SCHEMBL20379865 | 0.80 | TSHR (0.46) | ALDH1A1MEN1KMT2ACYP3A4GAA | |
| SCHEMBL11507747 | 0.80 | ALDH1A1 (0.56) | ALDH1A1KMT2ACYP3A4GAAACHE | |
| SCHEMBL31518353 | 0.80 | LMNA (0.45) | ALDH1A1MAPK1CYP2C9CYP2C19HTR2A | |
| SCHEMBL23633178 | 0.80 | MMP13 (0.44) | CYP2C9HTR2AGSRTXNRD1 | |
| SCHEMBL9576066 | 0.80 | ESR1 (0.47) | KMT2ACYP2C9CA12CA1CA2 |
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-1888050-B1 | cis-4-[(4-chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanepropanoic acid for the treatment of cancer | MERCK SHARP & DOHME (GB) | 2012-03-21 | — | — | EP | disclosed |