Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 3/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL2645239 | 0.76 | HCAR3 (0.49) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL12693704 | 0.74 | HCAR3 (0.48) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL6468190 | 0.74 | ESR1 (0.36) | ALDH1A1 | |
| SCHEMBL15382063 | 0.74 | HCAR3 (0.50) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL28832555 | 0.73 | HCAR3 (0.42) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL24284200 | 0.72 | HCAR3 (0.49) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL12690364 | 0.70 | HCAR3 (0.47) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL22404254 | 0.69 | HCAR3 (0.56) | HCAR3ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL17866987 | 0.68 | ESR1 (0.33) | — | |
| SCHEMBL9885039 | 0.68 | APLNR (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040137-A1 | OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-29 | — | — | WO | disclosed |