Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11632800 | 0.84 | TSHR (0.56) | TSHRALDH1A1MAPK1L3MBTL1GRM5 | |
| SCHEMBL31723025 | 0.81 | CES1 (0.60) | CES1TSHRALDH1A1GRM5FAAH | |
| SCHEMBL28745276 | 0.80 | TSHR (0.47) | CES1TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9945858 | 0.80 | CES1 (0.58) | CES1TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL4643563 | 0.78 | TSHR (0.48) | TSHRALDH1A1MAPK1L3MBTL1GRM5 | |
| SCHEMBL9422962 | 0.78 | TSHR (0.48) | TSHRALDH1A1MAPK1L3MBTL1GRM5 | |
| SCHEMBL4643567 | 0.78 | ALDH1A1 (0.56) | TSHRALDH1A1MAPK1L3MBTL1GRM5 | |
| Trifluoroacetic Acid SCHEMBL4658961 | 0.78 | CES1 (0.52) | CES1TSHRALDH1A1GRM5FAAH | |
| Trifluoroacetic Acid SCHEMBL27579421 | 0.77 | TSHR (0.62) | CES1TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL27369755 | 0.77 | TDP1 (0.58) | CES1TSHRALDH1A1MAPK1FAAH |
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-2001886-A2 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103839-A2 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-13 | — | — | WO | disclosed |