Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | RAC2 | P15153 | 1/20 | 0.36 |
| ▸ | RAC3 | P60763 | 1/20 | 0.36 |
| ▸ | CDC42 | P60953 | 1/20 | 0.36 |
| ▸ | RAC1 | P63000 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076241 | 0.79 | FLT3 (0.49) | CYP1A2CYP2C19PTGS1PTGS2HDAC1 | |
| SCHEMBL8656275 | 0.74 | TSHR (0.49) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL5139302 | 0.74 | CYP1A2 (0.45) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL5326699 | 0.74 | PTGS1 (0.46) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL1336097 | 0.74 | CYP1A2 (0.45) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL11199768 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL1395472 | 0.72 | TSHR (0.70) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL8301498 | 0.72 | P2RX7 (0.45) | LMNAKDM4EMAPT | |
| SCHEMBL27432924 | 0.71 | HDAC1 (0.56) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 | |
| SCHEMBL8612646 | 0.71 | NR1H2 (0.46) | CYP1A2CYP3A4TSHRCYP2C19PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0062853-A2 | Process for the preparation of substituted 3-hydroxy-1,2,4-triazoles | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-10-20 | — | — | EP | disclosed |