Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18554198 | 0.95 | PTGS2 (0.59) | PTGS2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL6737922 | 0.93 | LMNA (0.60) | PTGS2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL10803248 | 0.93 | LMNA (0.60) | PTGS2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL7635985 | 0.89 | LMNA (0.56) | PTGS2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL6575493 | 0.87 | CYP1A2 (0.55) | PTGS2CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL6575498 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19KMT2ALMNA | |
| SCHEMBL28185206 | 0.85 | KMT2A (0.49) | PTGS2CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL11630629 | 0.84 | KDM4E (0.50) | PTGS2CYP1A2CYP2C9KMT2ALMNA | |
| SCHEMBL8072579 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19KMT2ALMNA | |
| SCHEMBL6732569 | 0.84 | PTGS2 (0.50) | PTGS2CYP1A2CYP2C9KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1780822-A | Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) | ASTRAZENECA AB (SE) | 2006-05-31 | — | — | CN | disclosed |