Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CCR4 | P51679 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6313115 | 0.81 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL20837440 | 0.80 | ALDH1A1 (0.37) | CYP2A6ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL13261664 | 0.79 | ALDH1A1 (0.43) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL23029706 | 0.73 | SREBF2 (0.42) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL13261701 | 0.72 | CYP2A6 (0.38) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL20837441 | 0.72 | ALDH1A1 (0.36) | CYP2A6ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL17059022 | 0.72 | CYP1A2 (0.42) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL29903166 | 0.71 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL10684163 | 0.71 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL7517852 | 0.71 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 |
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-2376491-B1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON INC (US) | 2015-03-04 | — | — | EP | disclosed |
| US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | CEPHALON, INC. (US) | 2013-06-25 | — | — | US | disclosed |