Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 9/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5358876 | 0.81 | TAAR1 (0.42) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL6412552 | 0.78 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL29321255 | 0.77 | TAAR1 (0.61) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL28338265 | 0.77 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL5244808 | 0.77 | TAAR1 (0.61) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL29321256 | 0.77 | TAAR1 (0.61) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL20203346 | 0.76 | ADRB2 (0.44) | SLC6A4SLC6A2SLC6A3ADRB2CA1 | |
| SCHEMBL2298192 | 0.75 | KDM4E (0.68) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL3704375 | 0.75 | KDM4E (0.68) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 | |
| SCHEMBL2295214 | 0.75 | KDM4E (0.68) | SLC6A4SLC6A2SLC6A3TAAR1ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |