Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27748064 | 0.86 | CYP4F2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22623624 | 0.85 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4648846 | 0.82 | NOTUM (0.44) | PTGER4ALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL4649821 | 0.81 | ALDH1A1 (0.34) | ALDH1A1LMNAHPGDKDM4ENPC1 | |
| SCHEMBL20661372 | 0.77 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28020163 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1680787 | 0.75 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4649373 | 0.74 | NOTUM (0.42) | MEN1KMT2AALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL25905328 | 0.74 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3000237 | 0.73 | NOTUM (0.55) | CA12CA1CA2CA7CA9 |
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-1960367-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007067836-A2 | SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-14 | — | — | WO | disclosed |