Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.58 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22978816 | 0.96 | SLC6A3 (0.53) | SLC6A3C3AR1SLC6A2SLC6A4DHFR | |
| SCHEMBL11366829 | 0.86 | SLC6A3 (0.48) | SLC6A3C3AR1SLC6A2SLC6A4CHRM2 | |
| SCHEMBL14862650 | 0.84 | SLC6A3 (0.46) | SLC6A3C3AR1SLC6A2SLC6A4CHRM2 | |
| SCHEMBL6191571 | 0.83 | SLC6A3 (0.40) | SLC6A3C3AR1SLC6A2CHRM2HTR1A | |
| SCHEMBL11147057 | 0.82 | C3AR1 (0.44) | SLC6A3C3AR1SLC6A2CHRM2HTR1A | |
| SCHEMBL14862414 | 0.80 | C3AR1 (0.43) | C3AR1LMNA | |
| SCHEMBL4950911 | 0.79 | SLC6A3 (0.63) | SLC6A3SLC6A2SLC6A4DHFRCHRM2 | |
| Cetiedil SCHEMBL458084 | 0.78 | CYP3A4 (0.44) | SLC6A3C3AR1SLC6A2TP53CHRM2 | |
| Cetiedil SCHEMBL14169136 | 0.78 | CYP3A4 (0.44) | SLC6A3C3AR1SLC6A2TP53CHRM2 | |
| SCHEMBL4206472 | 0.77 | SLC6A3 (0.65) | SLC6A3SLC6A2SLC6A4DHFRCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE30655-E | Process for preparing 3-thienyl-acetate derivatives | LABAZ (FR) | 1981-06-23 | — | — | US | disclosed |
| US-4186137-A | ALKYLATION WITH CYCLOHEXYL BROMIDE | LABAZ (FR) | 1980-01-29 | — | — | US | disclosed |