Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL353775 | 0.79 | SIRT3 (0.46) | SMN1; SMN2NPC1MAPTHTTL3MBTL1 | |
| SCHEMBL22717662 | 0.73 | POLQ (0.48) | ALDH1A1 | |
| SCHEMBL31005773 | 0.71 | CYP3A4 (0.52) | GAANPC1LMNAMAPTKDM4E | |
| SCHEMBL4708254 | 0.71 | GAA (0.51) | GAASMN1; SMN2MAPTHTTKDM4E | |
| SCHEMBL883907 | 0.69 | CDC7 (0.58) | SMN1; SMN2NPC1MAPTHTTKDM4E | |
| SCHEMBL3554851 | 0.69 | CDC7 (0.48) | SMN1; SMN2NPC1MAPTHTTRAB9A | |
| SCHEMBL3627591 | 0.68 | NPC1 (0.61) | GAASMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL4907976 | 0.67 | SMN1; SMN2 (0.50) | GAASMN1; SMN2MAPTHTTL3MBTL1 | |
| Potassium SCHEMBL30402396 | 0.66 | SMN1; SMN2 (0.49) | GAASMN1; SMN2MAPTHTTL3MBTL1 | |
| SCHEMBL14663533 | 0.66 | PIM1 (0.51) | NPC1MAPTKDM4EALDH1A1 |
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 |