Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30524350 | 0.74 | CYP2A6 (0.58) | CYP2A6LMNAMCL1TDP1CA12 | |
| SCHEMBL2187375 | 0.73 | KMT2A (0.42) | LMNATDP1NPC1RAB9AALDH1A1 | |
| SCHEMBL4722008 | 0.71 | ALDH1A1 (0.39) | LMNANPC1RAB9AALDH1A1MAPT | |
| SCHEMBL6770764 | 0.70 | KMT2A (0.37) | LMNATDP1NPC1RAB9AALDH1A1 | |
| SCHEMBL15842720 | 0.70 | PGR (0.50) | CYP2A6LMNAMCL1TDP1CA12 | |
| SCHEMBL29396658 | 0.70 | PGR (0.50) | CYP2A6LMNAMCL1TDP1CA12 | |
| SCHEMBL2447211 | 0.69 | KDM4E (0.44) | LMNATDP1NPC1RAB9AALDH1A1 | |
| SCHEMBL13769546 | 0.67 | CYP2A6 (0.51) | CYP2A6LMNAMCL1TDP1CA12 | |
| SCHEMBL577790 | 0.67 | ALDH1A1 (0.51) | LMNATDP1RAB9AALDH1A1MAPT | |
| SCHEMBL628270 | 0.66 | ALDH1A1 (0.43) | CYP2A6LMNATDP1NPC1RAB9A |
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-1438295-B1 | AZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SERONO SA (CH) | 2012-08-15 | — | — | EP | disclosed |