Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | DHFR | P00374 | 5/20 | 0.49 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL558037 | 0.81 | MPO (0.58) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL28304817 | 0.81 | KMT2A (0.62) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL6094113 | 0.79 | DHFR (0.72) | DHFRMDM4KMT2ALMNAMEN1 | |
| SCHEMBL21964140 | 0.78 | MPO (0.60) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL22215524 | 0.77 | NQO2 (0.42) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL21325825 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL377227 | 0.75 | HSD17B10 (1.00) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL30080783 | 0.75 | HSD17B10 (1.00) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL30343134 | 0.74 | KMT2A (0.53) | ALDH1A1CYP1A2HPGDHSD17B10KMT2A | |
| SCHEMBL1770021 | 0.74 | KMT2A (0.53) | ALDH1A1CYP1A2HPGDHSD17B10KMT2A |
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-1235815-A1 | QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES | WARNER-LAMBERT COMPANY (US) | 2002-09-04 | — | — | EP | claimed |
| WO-2001038315-A1 | QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES | WARNER-LAMBERT COMPANY (US) | 2001-05-31 | — | — | WO | claimed |