Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ICMT | O60725 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 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 | |
|---|---|---|---|---|
| SCHEMBL17679304 | 0.80 | TSHR (0.51) | SLC6A4DRD3KDM4EALDH1A1DRD2 | |
| SCHEMBL17672438 | 0.79 | SLC6A4 (0.36) | HRH3SLC6A4KDM4EALDH1A1TSHR | |
| SCHEMBL31483664 | 0.79 | MEN1 (0.43) | DRD3CYP2A6TTRALBALDH1A1 | |
| SCHEMBL17643416 | 0.79 | MEN1 (0.43) | DRD3CYP2A6TTRALBALDH1A1 | |
| SCHEMBL29278111 | 0.77 | HRH3 (0.36) | HRH3SLC6A4SLC6A2SLC6A3BCHE | |
| SCHEMBL30762183 | 0.77 | HRH3 (0.36) | HRH3SLC6A4SLC6A2SLC6A3BCHE | |
| SCHEMBL17629925 | 0.77 | SLC6A4 (0.34) | SLC6A4KCNH2DRD3SLC6A3CYP2A6 | |
| SCHEMBL17643115 | 0.76 | CHEK1 (0.44) | SLC6A4MPODRD3TTRALB | |
| SCHEMBL17630178 | 0.76 | CYP11B1 (0.38) | SLC6A4DRD3TTRALBDRD2 | |
| SCHEMBL17672979 | 0.76 | SLC6A4 (0.35) | SLC6A4MPODRD3TTRALB |
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-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |