Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 SCHEMBL7276876 | 0.99 | CDK1 (0.42) | CDK1CCNB1GSK3BCHRM1 | |
| SCHEMBL7273842 | 0.75 | ALDH1A1 (0.51) | — | |
| SCHEMBL9451991 | 0.73 | CHRM2 (0.50) | — | |
| SCHEMBL1801387 | 0.71 | CDK1 (0.49) | CDK1CCNB1GSK3B | |
| SCHEMBL9342114 | 0.70 | CHRM2 (0.50) | CHRM1 | |
| Oxalic Acid SCHEMBL7275929 | 0.70 | CHRM2 (0.58) | CHRM1 | |
| Bromide SCHEMBL7267751 | 0.70 | CYP19A1 (0.58) | CDK1CCNB1GSK3B | |
| SCHEMBL10433194 | 0.69 | CHRM1 (0.51) | CHRM1 | |
| SCHEMBL11225279 | 0.68 | HTR2A (0.43) | CHRM1 | |
| Iodide SCHEMBL7275813 | 0.68 | GSK3B (0.43) | CDK1CCNB1GSK3B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | claimed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | claimed |
| EP-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | disclosed |
| US-5041456-A | Pharmaceutically useful 3-(indol-3-yl)-1,2,4-oxa- and thiadiazoles substituted in the 5-position by an amino containing group | MERCK SHARP & DOHME LTD. (GB) | 1991-08-20 | — | — | US | disclosed |
| US-4952587-A | PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S | MERCK SHARP & DOHME LTD. (GB) | 1990-08-28 | — | — | US | disclosed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | disclosed |