Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | BLM | P54132 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.62 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9490255 | 0.85 | ALDH1A1 (0.70) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL5925645 | 0.81 | ALDH1A1 (0.74) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL3377144 | 0.81 | ALDH1A1 (0.74) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL9823322 | 0.81 | THRB (0.42) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL23663764 | 0.80 | ALDH1A1 (0.73) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL3376488 | 0.80 | ALDH1A1 (0.72) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL19123079 | 0.79 | ALDH1A1 (0.62) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL22171811 | 0.79 | ALDH1A1 (0.70) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL26752805 | 0.79 | ALDH1A1 (0.74) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL14831012 | 0.79 | ALDH1A1 (0.79) | ALDH1A1NFKB1KCNH2POLBBLM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426666-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-05-15 | — | — | EP | disclosed |
| US-4857530-A | THYMIDYLATE SYNTHASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1989-08-15 | — | — | US | disclosed |
| EP-0316657-A1 | Substituted quinazolinones as anticancer agents | WARNER-LAMBERT COMPANY (US) | 1989-05-24 | — | — | EP | disclosed |
| WO-1989004307-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1989-05-18 | — | — | WO | disclosed |