Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11159252 | 0.93 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6NPSR1 | |
| SCHEMBL11039374 | 0.92 | LRRK2 (0.39) | NPSR1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL11043502 | 0.91 | NPSR1 (0.44) | CYP1A2CYP2C9CYP2C19CYP2D6NPSR1 | |
| SCHEMBL11159257 | 0.91 | ALDH1A1 (0.39) | CYP1A2CYP2C9CYP2C19CYP2D6NPSR1 | |
| SCHEMBL11162317 | 0.91 | TP53 (0.38) | NPSR1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL11044126 | 0.90 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL11170761 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL11171254 | 0.89 | ALDH1A1 (0.41) | ALDH1A1MAPTRAB9AATMGABRA1 | |
| SCHEMBL11041566 | 0.88 | GABRA1 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL11039938 | 0.88 | MAPT (0.41) | CYP1A2CYP2C9CYP2C19CYP2D6NPSR1 |
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-4395409-A | ANXIOLYTIC AGENT | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-07-26 | — | — | US | disclosed |
| EP-0041242-A1 | Carbamoyloxyamino-1,4-benzodiazepines, their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-12-09 | — | — | EP | disclosed |