Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 10/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27789952 | 0.91 | PARP1 (0.51) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27790122 | 0.87 | ALDH1A1 (0.47) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27789950 | 0.85 | ALDH1A1 (0.46) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27768414 | 0.82 | PARP1 (0.51) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27768404 | 0.78 | ALDH1A1 (0.47) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27789942 | 0.77 | ALDH1A1 (0.46) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27789947 | 0.76 | KDM4E (0.45) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27789934 | 0.75 | PARP1 (0.49) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL27768416 | 0.73 | KDM4E (0.54) | PARP1KDM4EALDH1A1GAAGLA | |
| SCHEMBL3062532 | 0.73 | PARP1 (0.84) | PARP1 |
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 |