Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 8/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29626231 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL27977591 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| Benzene SCHEMBL28093687 | 0.97 | MAPT (0.41) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| Propane SCHEMBL27699446 | 0.92 | ELANE (0.41) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| Bromobenzene SCHEMBL28160069 | 0.88 | HTT (0.39) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| N-Propyl Bromide SCHEMBL27977576 | 0.87 | ELANE (0.38) | CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL4140323 | 0.81 | MAPT (0.32) | HTTMAPTMAPK1 | |
| SCHEMBL2049800 | 0.79 | MAPT (0.33) | CYP3A4HTTMAPTMAPK1 | |
| SCHEMBL1652919 | 0.77 | CHKA (0.40) | MAPT | |
| Water SCHEMBL28778724 | 0.77 | MAPT (0.32) | HTTMAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117377657-A | Method for preparing pexidasatinib | 庄信万丰股份有限公司 | 2024-01-09 | — | — | CN | disclosed |