Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11650876 | 0.81 | NPC1 (0.53) | METCA12CA1CA4CA6 | |
| SCHEMBL16800184 | 0.81 | MET (0.47) | METCA12CA1CA4CA6 | |
| SCHEMBL20234272 | 0.81 | CHRM2 (0.43) | LMNASMN1; SMN2CHRM2CHRM4CHRM5 | |
| SCHEMBL10885864 | 0.81 | CYP1A2 (0.50) | ALDH1A1SMN1; SMN2CYP2D6 | |
| SCHEMBL15650646 | 0.80 | NPC1 (0.51) | METALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL4912310 | 0.80 | MGLL (0.55) | ALDH1A1CTSKSMN1; SMN2HPGDMAPK1 | |
| SCHEMBL1936121 | 0.78 | LMNA (0.50) | METCA12CA1CA4CA6 | |
| SCHEMBL26448818 | 0.75 | EPHX1 (0.52) | ALDH1A1MAPTCHRM5CHRM1EPHX1 | |
| SCHEMBL13777820 | 0.74 | ALDH1A1 (0.45) | METCA12CA1CA4CA6 | |
| SCHEMBL10884135 | 0.74 | TAAR1 (0.47) | ALDH1A1HPGD |
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-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010020556-A1 | NEW BRADYKININ B1 ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |