Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 10/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17316386 | 0.84 | S1PR1 (0.47) | FFAR4FFAR1GAASLC22A12KDM1A | |
| SCHEMBL17316863 | 0.81 | FFAR4 (0.50) | FFAR4FFAR1GAASLC22A12TSHR | |
| SCHEMBL30094539 | 0.79 | GAA (0.70) | FFAR4GAASLC22A12TSHRALDH1A1 | |
| SCHEMBL969758 | 0.79 | GAA (0.70) | FFAR4GAASLC22A12TSHRALDH1A1 | |
| SCHEMBL2793815 | 0.79 | FFAR4 (0.74) | FFAR4FFAR1SLC22A12RXRARXRB | |
| SCHEMBL27386021 | 0.78 | THRA (0.51) | TSHR | |
| SCHEMBL30962301 | 0.78 | THRA (0.51) | TSHR | |
| SCHEMBL17316460 | 0.77 | GAA (0.50) | FFAR4FFAR1GAASLC22A12TSHR | |
| SCHEMBL19048064 | 0.74 | KDM1A (0.65) | KDM1AALDH1A1TDP1 | |
| SCHEMBL926240 | 0.74 | KDM1A (0.47) | GAASLC22A12KDM1ATSHRALDH1A1 |
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-3152199-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | Actelion Pharmaceuticals Ltd. (CH) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015186056-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-12-10 | — | — | WO | disclosed |