Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8168160 | 1.00 | HTR2A (0.39) | HTR2ACYP2A6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL2879915 | 1.00 | HTR2A (0.39) | HTR2ACYP2A6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL28146626 | 0.78 | TRPA1 (0.42) | — | |
| SCHEMBL1905987 | 0.78 | HTR2A (0.40) | HTR2ACYP2A6CYP1A2ALOX15DPP4 | |
| SCHEMBL28431613 | 0.78 | HTR2A (0.40) | HTR2ACYP2A6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL19692787 | 0.76 | HTR2A (0.54) | HTR2ACYP2A6CYP1A2ALOX15ALOX5 | |
| SCHEMBL27985806 | 0.76 | HTR2A (0.54) | HTR2ACYP2A6CYP1A2ALOX15ALOX5 | |
| SCHEMBL746303 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL20187516 | 0.76 | GPR84 (0.44) | CYP2A6CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL20203208 | 0.76 | GPR84 (0.44) | CYP2A6CYP1A2CYP2C19SLC6A4SLC6A3 |
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-3544979-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |