Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865805 | 0.88 | ESR1 (0.43) | ESR1ESR2CHRM1ALDH1A1CYP2C9 | |
| SCHEMBL8344063 | 0.82 | ESR1 (0.41) | ESR1ESR2ALDH1A1MAOBLMNA | |
| SCHEMBL2533910 | 0.80 | CPB2 (0.49) | ESR1ESR2CPB2 | |
| SCHEMBL2360874 | 0.77 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL8865811 | 0.75 | CPA1 (0.57) | ESR1ESR2CPB2 | |
| SCHEMBL20126694 | 0.74 | ALDH1A1 (0.55) | ESR1ESR2CYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL5166294 | 0.73 | NAMPT (0.40) | ESR1ESR2MAPK1CPB2 | |
| SCHEMBL5570673 | 0.72 | CYP3A4 (0.45) | ESR1ESR2CYP3A4ALDH1A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL8762076 | 0.71 | CPA1 (0.51) | CHRM1CYP1A2CPB2 | |
| SCHEMBL2477673 | 0.70 | PTGS1 (0.33) | ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652257-A | ANTICARCINOGENIC | MERCK & CO., INC. (US) | 1997-07-29 | — | — | US | disclosed |
| WO-1996010034-A2 | THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |