Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 12/20 | 0.43 |
| ▸ | HPGD | P15428 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.43 |
| ▸ | USP2 | O75604 | 7/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 10/20 | 0.41 |
| ▸ | CASP7 | P55210 | 9/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9685414 | 0.80 | DRD2 (0.49) | ALDH1A1HPGDACHECASP1MAPK1 | |
| SCHEMBL31148464 | 0.76 | MAPT (0.42) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL5258581 | 0.74 | ADRB1 (0.52) | ALDH1A1HPGDSMN1; SMN2TAAR1ADRB1 | |
| SCHEMBL2920903 | 0.73 | CHRNB2 (0.46) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL9685229 | 0.72 | USP19 (0.51) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL9686750 | 0.72 | USP19 (0.44) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL13116676 | 0.69 | HRH4 (0.44) | — | |
| SCHEMBL9685430 | 0.68 | USP19 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL10721643 | 0.67 | ALDH1A1 (0.54) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 | |
| SCHEMBL30423191 | 0.67 | ADRB1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDADRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0188094-B1 | QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-03-18 | — | — | EP | disclosed |
| US-4734418-A | Quinazoline compounds and antihypertensives | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-29 | — | — | US | disclosed |
| EP-0188094-A2 | Quinazoline derivatives and antihypertensive preparations containing same as effective components | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-07-23 | — | — | EP | disclosed |