Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5185794 | 0.87 | ALDH1A1 (0.48) | CYP1A2ALDH1A1CYP3A4PTPN1APLNR | |
| SCHEMBL13067433 | 0.79 | CYP1A2 (0.46) | CYP1A2TAAR1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL10044958 | 0.79 | CYP1A2 (0.65) | CYP1A2TAAR1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL13067435 | 0.79 | ALDH1A1 (0.40) | CYP1A2ALDH1A1CYP3A4HSD17B10PTPN1 | |
| SCHEMBL10044606 | 0.78 | CYP1A2 (0.44) | CYP1A2TAAR1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL10044442 | 0.78 | CYP1A2 (0.44) | CYP1A2TAAR1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4407605 | 0.76 | PTPN1 (0.46) | ALDH1A1CYP3A4PTPN1USP2MAPK1 | |
| SCHEMBL1047857 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP3A4PTPN1CA12 | |
| SCHEMBL2096172 | 0.75 | ALDH1A1 (0.50) | CYP1A2ALDH1A1CYP3A4PTPN1APLNR | |
| SCHEMBL19237538 | 0.75 | TAAR1 (0.43) | CYP1A2TAAR1ALDH1A1CYP3A4 |
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-2012052420-A1 | METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES | MERCK SERONO S.A. GENEVA (CH) | 2012-04-26 | — | — | WO | disclosed |