Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 6/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16462107 | 0.89 | CYP2A13 (0.61) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL7446492 | 0.79 | CYP2A13 (0.61) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL16462153 | 0.79 | CYP2A13 (0.61) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL220727 | 0.78 | HTT (0.48) | CYP2A13HSD17B10CYP2C9ALOX15KDM4E | |
| SCHEMBL5103802 | 0.78 | NPSR1 (0.44) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL4108854 | 0.77 | CYP2A13 (1.00) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL20797131 | 0.77 | CYP2C9 (0.52) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL5238359 | 0.76 | HSD17B10 (0.46) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| Hydrochloric Acid SCHEMBL11239603 | 0.76 | CYP2A13 (0.96) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL16463965 | 0.75 | CYP2A13 (0.45) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A |
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-1147104-B1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMA (US) | 2012-03-14 | — | — | EP | disclosed |
| EP-1709965-A2 | Methods of treating cytokine mediate diseases | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2006-10-11 | — | — | EP | disclosed |