Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26308166 | 0.93 | ALDH1A1 (0.46) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL20416320 | 0.92 | CYP2C19 (0.47) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL18782931 | 0.85 | CA2 (0.44) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL18949009 | 0.85 | CA2 (0.44) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL22628668 | 0.85 | CA2 (0.44) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL20444070 | 0.84 | CA2 (0.47) | HTR1ATDP1CYP1A2KDM4ETSHR | |
| SCHEMBL4548032 | 0.83 | CYP2C19 (0.57) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL7503597 | 0.83 | SLC6A3 (0.44) | TDP1CYP2C19CHRM1AKR1A1CHRM3 | |
| SCHEMBL21428423 | 0.82 | HSD17B10 (0.53) | HTR1ATDP1CYP1A2HSD17B10CYP2C19 | |
| SCHEMBL6950102 | 0.82 | HTR1A (0.44) | HTR1ATDP1CYP1A2HSD17B10CHRM1 |
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-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |