Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27937862 | 0.98 | CYP2A6 (0.50) | CYP2A6CYP1A2CA12CA1CA2 | |
| SCHEMBL12431874 | 0.96 | CYP2A6 (0.52) | CYP2A6CYP1A2CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL27919201 | 0.94 | CYP2A6 (0.50) | CYP2A6CYP1A2CA12CA1CA2 | |
| SCHEMBL15772419 | 0.90 | CA12 (0.56) | CA12CA1CA2CA6CA7 | |
| SCHEMBL2096792 | 0.89 | CYP1A2 (0.48) | CYP2A6CYP1A2CA12CA1CA2 | |
| SCHEMBL12749012 | 0.89 | CYP2A6 (0.52) | CYP2A6CYP1A2CA12CA1CA2 | |
| SCHEMBL23458236 | 0.86 | CA12 (0.56) | CA12CA1CA2CA6CA7 | |
| SCHEMBL29919643 | 0.86 | CA12 (0.56) | CA12CA1CA2CA6CA7 | |
| SCHEMBL22325684 | 0.86 | CA12 (0.59) | CA12CA1CA2CA6CA7 | |
| SCHEMBL14231934 | 0.85 | NR5A1 (0.50) | CYP2A6CYP1A2CA12CA1CA2 |
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-0149588-A2 | N-(naphthyl-alkyl)-hydroxylamines | SANDOZ AG (CH) | 1985-07-24 | — | — | EP | disclosed |