Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3627678 | 1.00 | GAA (0.49) | GAAROCK2ROCK1RXFP1TDP1 | |
| SCHEMBL3630218 | 0.89 | GAA (0.47) | GAAROCK2ROCK1RXFP1TDP1 | |
| SCHEMBL3630214 | 0.89 | GAA (0.47) | GAAROCK2ROCK1RXFP1TDP1 | |
| SCHEMBL3628370 | 0.89 | ROCK2 (0.53) | GAAROCK2ROCK1RXFP1TDP1 | |
| SCHEMBL3628372 | 0.89 | ROCK2 (0.53) | GAAROCK2ROCK1RXFP1TDP1 | |
| SCHEMBL1937733 | 0.80 | ALDH1A1 (0.43) | GAATDP1CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL1937736 | 0.80 | ALDH1A1 (0.43) | GAATDP1CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL3629373 | 0.80 | GAA (0.44) | GAARXFP1TDP1CYP1A2CYP3A4 | |
| SCHEMBL1937151 | 0.80 | ROCK2 (0.61) | ROCK2ROCK1 | |
| SCHEMBL3629374 | 0.80 | GAA (0.44) | GAARXFP1TDP1CYP1A2CYP3A4 |
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-2010032875-A2 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS | ASTELLAS PHARMA INC. (JP) | 2010-03-25 | — | — | WO | disclosed |