Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 2/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27638357 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL1232789 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL9128454 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL5962192 | 0.82 | VCAM1 (0.52) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL9127741 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL1795352 | 0.78 | TDP1 (0.57) | ALDH1A1TSHRTDP1HSD17B10MAPT | |
| SCHEMBL384312 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL29511002 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1CYP3A4ACHE | |
| SCHEMBL5187586 | 0.77 | GPR35 (0.58) | ALDH1A1TSHRTDP1HSD17B10MAPT | |
| SCHEMBL5202695 | 0.77 | HSD17B10 (0.62) | ALDH1A1TSHRTDP1HSD17B10MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112538053-A | Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof | 同济大学 | 2021-03-23 | — | — | CN | claimed |
| CN-110627732-A | Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof | 同济大学 | 2019-12-31 | — | — | CN | claimed |
| CN-112538053-B | Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof | 同济大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-112538053-A | Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof | 同济大学 | 2021-03-23 | — | — | CN | disclosed |
| CN-105753735-B | Preparation method of high-efficiency low-toxicity vasopressin antagonist | 上海天慈中商药业有限公司 | 2020-01-17 | — | — | CN | disclosed |
| CN-110627732-A | Method for synthesizing nitroquinoxaline or derivative thereof and aminoquinoxaline or derivative thereof | 同济大学 | 2019-12-31 | — | — | CN | disclosed |
| CN-105315169-B | A kind of preparation method for the treatment of cardiovascular disease drug | 上海天慈生物谷生物工程有限公司 | 2018-12-21 | — | — | CN | disclosed |
| EP-1720827-A1 | METHOD OF PREPARING BENZAZEPINES AND DERIVATIVES THEREOF | Centre National de la Recherche Scientifique (FR) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005085183-A1 | METHOD OF PREPARING BENZAZEPINES AND DERIVATIVES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2005-09-15 | — | — | WO | disclosed |
| US-4259350-A | PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK | SANKYO COMPANY LIMITED (JP) | 1981-03-31 | — | — | US | disclosed |