Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 6/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.54 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.54 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.54 |
| ▸ | CHRNG | P07510 | 2/20 | 0.54 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.54 |
| ▸ | CHRND | Q07001 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961453 | 0.80 | CHRNA3 (0.55) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| SCHEMBL6960347 | 0.80 | CHRNA3 (0.55) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| SCHEMBL6973016 | 0.79 | CHRNA3 (0.53) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6961573 | 0.78 | CHRNB4 (0.59) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| SCHEMBL6813669 | 0.77 | CHRNA3 (0.64) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6960621 | 0.76 | CHRNB4 (0.57) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6960624 | 0.76 | CHRNB4 (0.57) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| SCHEMBL6972915 | 0.75 | CHRNB4 (0.72) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL15253516 | 0.74 | CHRNA3 (0.79) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL3099328 | 0.74 | CHRNA3 (0.79) | CHRNA3CHRNB4CHRNB2CHRNA1CHRNA4 |
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-0739342-B1 | PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-08-27 | — | — | EP | disclosed |