Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 5/20 | 0.39 |
| ▸ | PPARA | Q07869 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11566972 | 0.80 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL1121849 | 0.78 | TRPA1 (0.47) | IDO1TAAR1LMNAAGXT | |
| SCHEMBL2765367 | 0.78 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL29092065 | 0.76 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL28771419 | 0.76 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL29091897 | 0.76 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL4010409 | 0.76 | SLC6A2 (0.61) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL6425532 | 0.76 | IDO1 (0.42) | IDO1TAAR1PPARGPPARACYP2A6 | |
| SCHEMBL9481327 | 0.75 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3IDO1TAAR1 | |
| SCHEMBL459370 | 0.75 | EPHX1 (0.50) | SLC6A4SLC6A2SLC6A3TAAR1CYP2A6 |
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 |