Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 17/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 17/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 17/20 | 0.43 |
| ▸ | CASP1 | P29466 | 14/20 | 0.43 |
| ▸ | CASP7 | P55210 | 13/20 | 0.43 |
| ▸ | HPGD | P15428 | 12/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.41 |
| ▸ | USP2 | O75604 | 7/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP1 | O94782 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1847423 | 0.87 | POLB (0.41) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL8810107 | 0.84 | CYP1A2 (0.55) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL1847339 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL9685462 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL9686598 | 0.78 | HTT (0.51) | ALDH1A1HSD17B10CASP1HPGDTSHR | |
| Maleic Acid SCHEMBL8809763 | 0.78 | CYP1A2 (0.48) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Fumaric Acid SCHEMBL8809775 | 0.78 | CYP1A2 (0.48) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Phosphoric Acid SCHEMBL8808804 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL1845316 | 0.77 | POLB (0.39) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL1845750 | 0.75 | LMNA (0.41) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 |
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 6 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 |
| EP-0192783-B1 | 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-04-17 | — | — | EP | disclosed |
| US-4742165-A | HERBICIDES | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-05-03 | — | — | US | disclosed |
| US-4734418-A | Quinazoline compounds and antihypertensives | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-29 | — | — | US | disclosed |
| EP-0192783-A1 | 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-09-03 | — | — | EP | disclosed |
| EP-0188094-A2 | Quinazoline derivatives and antihypertensive preparations containing same as effective components | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-07-23 | — | — | EP | disclosed |