Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28966364 | 1.00 | EPHX1 (0.42) | EPHX1HCAR2ALOX5NOS3NOS1 | |
| SCHEMBL28966324 | 0.84 | EPHX1 (0.41) | EPHX1HCAR2ALOX5CXCR1CXCR2 | |
| SCHEMBL28966323 | 0.84 | EPHX1 (0.41) | EPHX1HCAR2ALOX5CXCR1CXCR2 | |
| SCHEMBL12327036 | 0.84 | EPHX1 (0.62) | EPHX1ALOX5CXCR1CXCR2ADRB3 | |
| SCHEMBL28240696 | 0.83 | EPHX1 (0.40) | EPHX1HCAR2ALOX5CXCR1CXCR2 | |
| SCHEMBL18740334 | 0.83 | EPHX1 (0.40) | EPHX1HCAR2ALOX5CXCR1CXCR2 | |
| SCHEMBL28240687 | 0.80 | ALDH1A1 (0.42) | EPHX1HCAR2ALOX5PPARGPPARA | |
| SCHEMBL27584191 | 0.80 | EPHX1 (0.38) | EPHX1HCAR2ALOX5CXCR1CXCR2 | |
| SCHEMBL514412 | 0.79 | HCAR2 (0.40) | EPHX1HCAR2ALOX5LMNACYP2C9 | |
| SCHEMBL514895 | 0.79 | ALOX5 (0.50) | HCAR2ALOX5LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110291085-B | Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof | 艾科生物科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| EP-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | disclosed |