Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.49 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 5/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 3/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6648351 | 0.85 | HTR3A (0.43) | — | |
| SCHEMBL6757635 | 0.82 | PARP1 (0.48) | KDM5BPARP1KMT2AALDH1A1TNKS | |
| SCHEMBL14335332 | 0.74 | KDM4E (0.49) | PARP1DAONPC1RAB9AKMT2A | |
| SCHEMBL31212677 | 0.71 | KDM5A (0.48) | KDM5AKDM5BDAO | |
| SCHEMBL6648545 | 0.71 | PARP1 (0.47) | PARP1AURKADAONPC1RAB9A | |
| SCHEMBL7395879 | 0.71 | GAA (0.53) | PARP1AURKADAONPC1RAB9A | |
| SCHEMBL26018021 | 0.71 | PARP1 (0.47) | PARP1AURKADAONPC1RAB9A | |
| SCHEMBL31690848 | 0.69 | NPY5R (0.46) | DAONPY5R | |
| SCHEMBL31283664 | 0.69 | ERN1 (0.45) | PARP1AURKADAONPC1RAB9A | |
| SCHEMBL18550803 | 0.69 | PARP1 (0.55) | PARP1AURKAPTGER3DAONPC1 |
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-2017029601-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2017-02-23 | — | — | WO | disclosed |