Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7324610 | 0.80 | PTPN1 (0.33) | — | |
| SCHEMBL17680337 | 0.80 | CYP2A6 (0.35) | CYP2A6PLCG1GSK3B | |
| SCHEMBL17195666 | 0.80 | CYP1A2 (0.35) | CYP2A6PLCG1 | |
| SCHEMBL9670576 | 0.76 | — | — | |
| SCHEMBL19297529 | 0.75 | ALDH1A1 (0.38) | CYP2A6GSK3B | |
| SCHEMBL20590378 | 0.74 | CYP2A6 (0.38) | CYP2A6PLCG1 | |
| SCHEMBL17548365 | 0.74 | CYP2A6 (0.38) | CYP2A6PLCG1 | |
| SCHEMBL9478371 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL22336943 | 0.70 | HDAC3 (0.39) | — | |
| SCHEMBL21609728 | 0.70 | HDAC3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020261294-A1 | NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | MANKIND PHARMA LTD. (IN) | 2020-12-30 | — | — | WO | disclosed |
| US-5187189-A | S-aminoalkyl-s-arylsulfoximines as antiarrhythmic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-02-16 | — | — | US | disclosed |