Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL900593 | 0.79 | ALDH1A1 (0.46) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL27987105 | 0.78 | ALOX5 (0.56) | CYP3A4CA1CA2 | |
| SCHEMBL9047499 | 0.78 | SMN1; SMN2 (0.45) | CYP3A4MAPK1SMN1; SMN2CYP1A2CA1 | |
| SCHEMBL8009626 | 0.77 | CYP1A2 (0.44) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL4727220 | 0.76 | ERN1 (0.42) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL28239353 | 0.76 | APLNR (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1049672 | 0.75 | TAAR1 (0.64) | CYP3A4MAPK1CYP1A2TAAR1 | |
| SCHEMBL9198298 | 0.75 | USP2 (0.44) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL13564259 | 0.75 | CYP1A2 (0.43) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL2096172 | 0.73 | ALDH1A1 (0.50) | CYP3A4USP2MAPK1SMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |