Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 7/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL27768407 | 0.90 | KDM4E (0.54) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768416 | 0.80 | KDM4E (0.54) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768388 | 0.77 | KDM4E (0.44) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768414 | 0.77 | PARP1 (0.51) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27789949 | 0.77 | KDM4E (0.49) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768404 | 0.75 | ALDH1A1 (0.47) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27789942 | 0.74 | ALDH1A1 (0.46) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27789947 | 0.73 | KDM4E (0.45) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768390 | 0.70 | ALDH1A1 (0.50) | GAAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL27768389 | 0.69 | PARP1 (0.49) | GAAKDM4EALDH1A1GLAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101616919-B | Poly (ADP ribose) polymerase inhibitors | ABBOTT LAB | 2012-10-10 | — | — | CN | claimed |
| CN-101616919-B | Poly (ADP ribose) polymerase inhibitors | ABBOTT LAB | 2012-10-10 | — | — | CN | disclosed |
| CN-101616919-A | Poly (ADP ribose) polymerase inhibitors | ABBOTT LAB | 2009-12-30 | — | — | CN | disclosed |