Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27681007 | 0.78 | PARP1 (0.47) | PARP1CSNK1A1TYRO3DYRK1BKDM4E | |
| SCHEMBL4186883 | 0.77 | KDM4E (0.65) | PARP1CSNK1A1TYRO3DYRK1BKDM4E | |
| SCHEMBL30108233 | 0.76 | PARP1 (0.49) | PARP1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL945856 | 0.76 | KDM4E (0.55) | PARP1DYRK1BKDM4ETDP1SMN1; SMN2 | |
| SCHEMBL29916420 | 0.76 | KDM4E (0.55) | PARP1DYRK1BKDM4ETDP1SMN1; SMN2 | |
| SCHEMBL30442752 | 0.75 | PARP1 (0.47) | PARP1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28206097 | 0.75 | SMN1; SMN2 (0.57) | PARP1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30108258 | 0.75 | PARP1 (0.47) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL28335785 | 0.75 | PARP1 (0.47) | PARP1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28225056 | 0.75 | PARP1 (0.47) | PARP1KDM4ETDP1ALDH1A1HPGD |
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-2020243459-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-12-03 | — | — | WO | disclosed |