Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29709996 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1L3MBTL1LMNAHPGD | |
| SCHEMBL8526461 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1L3MBTL1LMNAHPGD | |
| SCHEMBL20541087 | 0.80 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL30026143 | 0.80 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL2592408 | 0.79 | TDP1 (0.44) | ALDH1A1CYP3A4KDM4EL3MBTL1LMNA | |
| SCHEMBL28181896 | 0.79 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL31635952 | 0.79 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL30032 | 0.79 | PTGS2 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL1155472 | 0.78 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL21110859 | 0.78 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2566858-A2 | HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS | Pfizer Inc. (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011138751-A2 | HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS | PFIZER INC. (US) | 2011-11-10 | — | — | WO | disclosed |