Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.94 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL152521 | 0.97 | CYP2A6 (1.00) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL30071035 | 0.97 | CYP2A6 (1.00) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL8873844 | 0.97 | CYP2A6 (1.00) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL29843547 | 0.97 | CYP2A6 (1.00) | CYP2A6MAPTLMNAHTTNR4A2 | |
| Methane SCHEMBL27919221 | 0.92 | CYP2A6 (0.90) | CYP2A6MAPTLMNAHTTNR4A2 | |
| Chlorobenzene SCHEMBL20479175 | 0.90 | CYP2A6 (0.85) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL1359615 | 0.89 | CYP2A6 (0.84) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL30413044 | 0.89 | CYP2A6 (0.84) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL5052178 | 0.89 | CYP2A6 (0.84) | CYP2A6MAPTLMNAHTTNR4A2 | |
| SCHEMBL5464508 | 0.89 | CYP2A6 (0.84) | CYP2A6MAPTLMNAHTTNR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004050624-A1 | SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES | C & C RESEARCH LABORATORIES (KR) | 2004-06-17 | — | — | WO | disclosed |