Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GSTA1 | P08263 | 3/20 | 0.38 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL28238985 | 0.82 | KDM4E (0.55) | CES2GALR3CYP1A2CYP2C9HPGD | |
| SCHEMBL13952292 | 0.78 | CSNK2A1 (0.42) | HPGDALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL30864269 | 0.77 | MAOA (0.53) | PTGDR2MAOACES2GALR3CYP1A2 | |
| SCHEMBL28237983 | 0.76 | ALDH1A1 (0.50) | HPGDALDH1A1MAPTMAPK1GAA | |
| SCHEMBL25843039 | 0.76 | MAOA (0.45) | PTGDR2MAOACES2GALR3CYP1A2 | |
| SCHEMBL1310573 | 0.75 | MAPT (0.51) | PTGDR2MAOACES2GALR3CYP1A2 | |
| SCHEMBL2507576 | 0.75 | MAOA (0.51) | PTGDR2MAOACES2GALR3CYP1A2 | |
| SCHEMBL13498242 | 0.74 | CYP4F2 (0.39) | MAOAKDM4ECA12CA9 | |
| SCHEMBL6054167 | 0.74 | ALDH1A1 (0.56) | CYP1A2CYP2C9HPGDCYP2C19ALDH1A1 | |
| SCHEMBL309016 | 0.74 | HPGD (0.69) | PTGDR2MAOACES2GALR3CYP1A2 |
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-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| WO-2007088462-A1 | SPIROCHROMANE ANTAGONISTS OF THE H-3 RECEPTOR | PFIZER PRODUCTS INC. (US) | 2007-08-09 | — | — | WO | disclosed |