Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17007914 | 0.83 | SMN1; SMN2 (0.42) | CNR2ABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL1225868 | 0.80 | TDP1 (0.56) | CNR2CYP1A2CYP3A4TSHRCYP19A1 | |
| SCHEMBL19779527 | 0.79 | CNR1 (0.41) | CNR2CYP1A2CYP3A4CYP19A1CYP2C19 | |
| SCHEMBL21679118 | 0.79 | CNR2 (0.51) | CNR2RORCABCB11CYP1A2CYP3A4 | |
| SCHEMBL15463681 | 0.79 | CYP1A2 (0.46) | CNR2CYP1A2CYP3A4TSHRMAOB | |
| SCHEMBL1970633 | 0.79 | CYP19A1 (0.53) | CNR2RORCABCB11CYP1A2CYP3A4 | |
| SCHEMBL395978 | 0.74 | PIN1 (0.54) | CNR2RORCTSHRPIN1CYP2C19 | |
| SCHEMBL6279399 | 0.74 | CNR2 (0.58) | CNR2RORCABCB11CYP1A2CYP3A4 | |
| Benzene SCHEMBL28258998 | 0.74 | PIN1 (0.54) | CNR2RORCTSHRPIN1CYP2C19 | |
| SCHEMBL28929695 | 0.73 | CHRM2 (0.53) | CYP1A2CYP3A4TSHRPMP22CYP19A1 |
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-5691323-A | BENZIMIDAZOL-2-ONES | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996013262-A1 | MUSCARINE ANTAGONISTS | MERCK & CO., INC. (US) | 1996-05-09 | — | — | WO | disclosed |