Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 17/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.41 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 10/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16401663 | 0.90 | IP6K1 (0.43) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16401240 | 0.90 | S1PR1 (0.44) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16400700 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL19315816 | 0.83 | S1PR1 (0.38) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16400173 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16400797 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL19315819 | 0.79 | S1PR1 (0.36) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16409670 | 0.78 | S1PR1 (0.36) | CYP1A2CYP2D6S1PR1IP6K1IP6K3 | |
| SCHEMBL16400772 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2D6S1PR1S1PR3CYP3A4 | |
| SCHEMBL16401572 | 0.76 | LMNA (0.44) | S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3022185-B1 | PESTICIDE COMPOUNDS | BASF SE (DE) | 2017-09-06 | — | — | EP | disclosed |
| WO-2015007682-A1 | PESTICIDE COMPOUNDS | BASF SE (DE) | 2015-01-22 | — | — | WO | disclosed |