Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768759 | 0.90 | GAA (0.49) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768416 | 0.90 | KDM4E (0.54) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768388 | 0.81 | KDM4E (0.44) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768414 | 0.81 | PARP1 (0.51) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27789949 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768404 | 0.79 | ALDH1A1 (0.47) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27789942 | 0.78 | ALDH1A1 (0.46) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768390 | 0.74 | ALDH1A1 (0.50) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL27768389 | 0.73 | PARP1 (0.49) | KDM4EALDH1A1GAAGLAHPGD | |
| SCHEMBL29673192 | 0.71 | KDM4E (1.00) | KDM4EALDH1A1GAAGLAHPGD |
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 |