Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 9/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7374778 | 0.85 | ADRA1A (0.74) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL7376835 | 0.85 | CHRM1 (0.69) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL7951942 | 0.85 | ADRA1A (0.74) | CHRM1ADRA1AGABRA1GABRA5GABRA3 | |
| SCHEMBL11837472 | 0.85 | ADRA1A (0.54) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL11837680 | 0.84 | ADRA1A (0.51) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL11606414 | 0.82 | CHRM1 (0.71) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL11828237 | 0.82 | CHRM1 (0.71) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL10741591 | 0.82 | CHRM1 (0.71) | CHRM1ALDH1A1PKMHTTNPSR1 | |
| SCHEMBL11825591 | 0.80 | CHRM1 (0.72) | CHRM1ADRA1AALDH1A1PKMHTT | |
| SCHEMBL7950385 | 0.79 | CHRM1 (1.00) | CHRM1ALDH1A1PKMHTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6174881-B1 | USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING | HOFFMAN-LA ROCHE INC. | 2001-01-16 | — | — | US | disclosed |