Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7439036 | 0.99 | CHRM2 (0.52) | CHRM2CHRM1CHRM3CHRNA7NOTUM | |
| SCHEMBL9602968 | 0.81 | CHRM2 (0.50) | CHRM2CHRM1CHRM3CHRNA7 | |
| SCHEMBL7265735 | 0.76 | NPC1 (0.61) | CHRM2CHRM1CHRM3CHRNA7 | |
| Hydrochloric Acid SCHEMBL7446453 | 0.75 | NPC1 (0.60) | CHRM2CHRM1CHRM3CHRNA7 | |
| Ricasetron SCHEMBL634826 | 0.73 | NOTUM (0.52) | NOTUM | |
| Ricasetron SCHEMBL21715163 | 0.73 | NOTUM (0.52) | NOTUM | |
| Ricasetron SCHEMBL634827 | 0.73 | NOTUM (0.52) | NOTUM | |
| Ricasetron SCHEMBL20362251 | 0.73 | NOTUM (0.52) | NOTUM | |
| Ricasetron SCHEMBL7445859 | 0.72 | NOTUM (0.51) | NOTUM | |
| SCHEMBL26691209 | 0.71 | NOTUM (0.73) | NOTUM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0278173-B1 | Use of heterocyclic derivatives in the treatment of depressions | GLAXO GROUP LTD (GB) | 1993-11-03 | — | — | EP | claimed |
| EP-0247266-B1 | INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS | BEECHAM GROUP PLC (GB) | 1993-03-10 | — | — | EP | claimed |
| US-5049556-A | Certain N-azabicyclo-2,3-dihydro-indole-1-carboxamides having anti-emetic properties, further found useful in treating headaches, neuralgia and anxiety | BEECHAM GROUP P.L.C. (GB) | 1991-09-17 | — | — | US | claimed |
| EP-0247266-A1 | Indole derivatives having an azabicyclic side chain, process for their preparation, intermediates, and pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1987-12-02 | — | — | EP | claimed |
| EP-0278173-B1 | Use of heterocyclic derivatives in the treatment of depressions | GLAXO GROUP LTD (GB) | 1993-11-03 | — | — | EP | disclosed |