Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PDE6A | P16499 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12982035 | 0.85 | CYP2C19 (0.49) | CYP2C19NR1H2NR1H3OPRL1OPRM1 | |
| SCHEMBL15122814 | 0.82 | CRHBP (0.50) | CYP2C19NR1H2NR1H3OPRL1OPRM1 | |
| SCHEMBL2960872 | 0.79 | CYP2C19 (0.78) | CYP2C19NR1H2NR1H3OPRM1TSHR | |
| SCHEMBL10776342 | 0.78 | CYP2C19 (0.51) | CYP2C19NR1H2NR1H3OPRL1OPRM1 | |
| SCHEMBL2327182 | 0.75 | CYP2C19 (0.45) | CYP2C19NR1H2NR1H3OPRM1TSHR | |
| SCHEMBL23113369 | 0.75 | NR1H2 (0.45) | NR1H2NR1H3OPRL1OPRM1OPRK1 | |
| SCHEMBL28502132 | 0.75 | RXRA (0.47) | CYP2C19NR1H2NR1H3OPRL1OPRM1 | |
| SCHEMBL43183 | 0.74 | TSHR (0.74) | CYP2C19NR1H2NR1H3OPRM1TSHR | |
| SCHEMBL2324699 | 0.74 | CYP2C19 (0.51) | CYP2C19NR1H2NR1H3OPRL1OPRM1 | |
| SCHEMBL13364046 | 0.74 | HSD11B1 (0.51) | CYP2C19NR1H2NR1H3OPRM1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010010184-A1 | [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS | GALAPAGOS NV (BE) | 2010-01-28 | — | — | WO | disclosed |
| WO-2010010184-A1 | [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS | GALAPAGOS NV (BE) | 2010-01-28 | — | — | WO | disclosed |