Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6999209 | 0.78 | MAPT (0.49) | CYP2A6CHRNB2CHRNA4CYP11B2CYP3A4 | |
| SCHEMBL23474172 | 0.76 | CYP2A6 (0.50) | CYP2A6CHRNB2CHRNA4CYP11B2CYP3A4 | |
| SCHEMBL29804975 | 0.74 | CHRNB2 (0.56) | CYP2A6CHRNB2CHRNA4CYP11B2CYP3A4 | |
| SCHEMBL18998469 | 0.72 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2ALDH1A1 | |
| SCHEMBL12143642 | 0.72 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2ALDH1A1 | |
| SCHEMBL19121445 | 0.72 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2ALDH1A1 | |
| SCHEMBL15676069 | 0.72 | GRM5 (0.46) | CHRNB2CHRNA4CYP3A4ALDH1A1LMNA | |
| SCHEMBL10242861 | 0.72 | GRM5 (0.46) | CHRNB2CHRNA4CYP3A4ALDH1A1LMNA | |
| SCHEMBL23914290 | 0.72 | KDM4E (0.41) | CYP2A6CHRNB2CHRNA4CYP11B2CYP3A4 | |
| SCHEMBL23758995 | 0.72 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP11B2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0435127-A2 | 3-Substituted pyridines | BASF Aktiengesellschaft (DE) | 1991-07-03 | — | — | EP | claimed |