Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14474599 | 0.86 | CHRNB2 (0.48) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL14474623 | 0.80 | CHRNB2 (0.50) | CYP3A4CYP1A2TSHRKDM4EHPGD | |
| SCHEMBL14474593 | 0.80 | CYP11B2 (0.49) | CYP3A4CYP1A2TSHRKDM4EMAPT | |
| SCHEMBL16183288 | 0.76 | CYP11B1 (0.40) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL16184290 | 0.75 | CYP1A2 (0.52) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL19204123 | 0.75 | CYP11B1 (0.42) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL14731283 | 0.73 | PDE5A (0.40) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL16183833 | 0.72 | CYP1A2 (0.48) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL16184310 | 0.69 | CYP1A2 (0.47) | PDE5ACYP3A4CYP1A2TSHRKDM4E | |
| SCHEMBL16183532 | 0.68 | ABCG2 (0.53) | PDE5ACYP3A4CYP1A2TSHRKDM4E |
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-2013003586-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-01-03 | — | — | WO | disclosed |