Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11268892 | 0.78 | ADRB2 (0.46) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL3029682 | 0.76 | GABBR2 (0.46) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL16212388 | 0.76 | TSHR (0.41) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL25596214 | 0.76 | ESR1 (0.60) | TSHRHIF1ATDP1LMNASLC6A3 | |
| SCHEMBL20187516 | 0.76 | GPR84 (0.44) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL20203208 | 0.76 | GPR84 (0.44) | ADRB2TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL13388176 | 0.76 | LMNA (0.33) | TDP1LMNASLC6A3SLC6A2 | |
| SCHEMBL13772429 | 0.76 | ESR1 (0.60) | TSHRHIF1ATDP1LMNASLC6A3 | |
| SCHEMBL28895595 | 0.76 | LOXL2 (0.39) | TSHRMAPK1TDP1LMNATP53 | |
| SCHEMBL20203347 | 0.76 | SLC6A4 (0.49) | ADRB2TSHRMAPK1HIF1ATDP1 |
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-B1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |
| WO-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |