Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 16/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13865205 | 0.89 | CHRM1 (0.46) | BUB1CHRM1PDE5AALDH1A1LMNA | |
| SCHEMBL5565576 | 0.83 | PDE5A (0.61) | KDM4ENPC1GMNNPDE5AALDH1A1 | |
| SCHEMBL13865194 | 0.79 | BUB1 (0.45) | BUB1CHRM1KDM4ENPC1GMNN | |
| SCHEMBL4425532 | 0.79 | BUB1 (0.45) | BUB1CHRM1KDM4ENPC1GMNN | |
| SCHEMBL3071620 | 0.78 | PDE5A (0.71) | BUB1CHRM1KDM4ENPC1GMNN | |
| SCHEMBL4426683 | 0.78 | BUB1 (0.43) | BUB1CHRM1KDM4ENPC1GMNN | |
| SCHEMBL13865218 | 0.76 | BUB1 (0.48) | BUB1CHRM1PDE5AALDH1A1CYP1A2 | |
| SCHEMBL13865192 | 0.74 | BUB1 (0.46) | BUB1CHRM1 | |
| SCHEMBL13865177 | 0.74 | BUB1 (0.48) | BUB1CHRM1KDM4ENPC1GMNN | |
| SCHEMBL13865183 | 0.74 | CYP2D6 (0.52) | BUB1CHRM1ALDH1A1CYP1A2CYP3A4 |
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-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |