Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10693028 | 0.83 | GPR35 (0.30) | — | |
| SCHEMBL12281175 | 0.83 | CYP2A6 (0.40) | CYP2A6DYRK1AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL10693094 | 0.81 | IFNAR1 (0.44) | CYP2A6ALDH1A1MAPTSMN1; SMN2MAPK9 | |
| SCHEMBL10687422 | 0.79 | CYP2A6 (0.42) | CYP2A6ALDH1A1 | |
| SCHEMBL29915143 | 0.77 | DYRK1A (0.46) | CYP2A6DYRK1AALDH1A1MAPTCA1 | |
| SCHEMBL27002564 | 0.77 | DYRK1A (0.46) | CYP2A6DYRK1AALDH1A1MAPTCA1 | |
| SCHEMBL10694548 | 0.77 | — | — | |
| SCHEMBL10694546 | 0.77 | — | — | |
| SCHEMBL9775376 | 0.77 | TBXAS1 (0.32) | CYP2A6 | |
| SCHEMBL8583983 | 0.74 | CYP1A2 (0.33) | CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |