Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL8244003 | 0.88 | DRD2 (0.40) | HRH4HRH3SLC6A2SLC6A4CHRNB2 | |
| SCHEMBL6146836 | 0.87 | GBA1 (0.41) | HRH4HRH3SLC6A2SLC6A4GBA1 | |
| Heptane SCHEMBL28329286 | 0.87 | GNAO1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Heptane SCHEMBL28329284 | 0.87 | GNAO1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL20859255 | 0.82 | TP53 (0.31) | — | |
| SCHEMBL2280165 | 0.78 | HRH4 (0.39) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL14254664 | 0.76 | CYP2B6 (0.59) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL14254668 | 0.76 | CYP2B6 (0.59) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL1456659 | 0.76 | CHRM2 (0.35) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL7664060 | 0.76 | CYP2B6 (0.59) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4045040-A1 | NITROGEN CONTAINING BICYCLIC COMPOUNDS | Wockhardt Limited (IN) | 2022-08-24 | — | — | EP | disclosed |