Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100456 | 0.99 | DHFR (0.43) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL8401779 | 0.96 | DHFR (0.42) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL5712367 | 0.88 | ALDH1A1 (0.46) | DHFRALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL5712377 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7887739 | 0.83 | PDE7A (0.53) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL7101435 | 0.80 | ADORA2B (0.41) | ALDH1A1SMN1; SMN2NPSR1KDM4EHPGD | |
| SCHEMBL7887797 | 0.79 | KDR (0.53) | DHFRALDH1A1CA12CA1CA2 | |
| SCHEMBL8424278 | 0.78 | LMNA (0.43) | ALDH1A1LMNASMN1; SMN2NPSR1KDM4E | |
| SCHEMBL5712361 | 0.78 | ADORA2B (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8406727 | 0.78 | USP2 (0.46) | ALDH1A1LMNASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922037-A1 | PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1997048684-A1 | PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |