Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14865314 | 0.92 | CNR2 (0.34) | CNR2CNR1CA1CA2CA7 | |
| SCHEMBL14865486 | 0.92 | OPRL1 (0.38) | ALDH1A1LMNACNR2CNR1CA1 | |
| SCHEMBL184742 | 0.85 | CYP3A4 (0.40) | ALDH1A1LMNACNR2CNR1CYP3A4 | |
| SCHEMBL185221 | 0.82 | ALDH1A1 (0.38) | ALDH1A1LMNACNR2CNR1CYP3A4 | |
| SCHEMBL14865381 | 0.81 | CNR2 (0.35) | ALDH1A1CNR2CYP2C19P2RX7RAB9A | |
| SCHEMBL2808499 | 0.80 | ALDH1A1 (0.40) | ALDH1A1LMNACNR2CYP3A4CYP2C9 | |
| SCHEMBL13128425 | 0.80 | BDKRB1 (0.48) | ALDH1A1LMNACNR2CNR1CYP3A4 | |
| SCHEMBL2807564 | 0.80 | LMNA (0.37) | ALDH1A1LMNACNR2CNR1CYP3A4 | |
| SCHEMBL185133 | 0.80 | CNR2 (0.41) | ALDH1A1CNR2CNR1CA1CA2 | |
| SCHEMBL186467 | 0.79 | AR (0.41) | ALDH1A1LMNACNR2CNR1BDKRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |