Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768404 | 0.95 | ALDH1A1 (0.47) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27789942 | 0.94 | ALDH1A1 (0.46) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27789952 | 0.90 | PARP1 (0.51) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27790122 | 0.85 | ALDH1A1 (0.47) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27789950 | 0.84 | ALDH1A1 (0.46) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27768387 | 0.82 | PARP1 (0.44) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27768407 | 0.81 | KDM4E (0.54) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27768388 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL27789949 | 0.80 | KDM4E (0.49) | PARP1ALDH1A1KDM4EGLAGAA | |
| SCHEMBL27768390 | 0.75 | ALDH1A1 (0.50) | PARP1ALDH1A1KDM4EGLAGAA |
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 |