Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NNMT | P40261 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14123466 | 0.77 | KDM4E (0.41) | TDP1KDM4ENPC1GAAALDH1A1 | |
| SCHEMBL15941543 | 0.76 | MAPT (0.43) | TDP1KDM4ENPC1GAAALDH1A1 | |
| SCHEMBL4097986 | 0.76 | ALDH1A1 (0.42) | KDM4EALDH1A1HTTNNMTMAPT | |
| SCHEMBL6686702 | 0.72 | NPC1 (0.45) | KDM4ENPC1GAAALDH1A1NNMT | |
| SCHEMBL6829056 | 0.71 | CASP1 (0.57) | ALDH1A1NNMTCASP1POLBLMNA | |
| SCHEMBL21719496 | 0.71 | KDM4E (0.36) | TDP1KDM4EALDH1A1HTTMAPT | |
| Hydrochloric Acid SCHEMBL21711336 | 0.71 | NPC1 (0.44) | KDM4ENPC1GAAALDH1A1NNMT | |
| SCHEMBL17773616 | 0.71 | KDM4E (0.36) | KDM4EALDH1A1HTTNNMTCASP1 | |
| SCHEMBL13884709 | 0.70 | — | — | |
| SCHEMBL25275413 | 0.69 | KDM4E (0.45) | KDM4ENPC1ALDH1A1HTTNNMT |
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-2004108707-A1 | PYRIDAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS | ASTRAZENECA AB (SE) | 2004-12-16 | — | — | WO | disclosed |