Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 19/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020760 | 0.85 | TACR1 (0.56) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4023476 | 0.78 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL12050388 | 0.78 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3934126 | 0.74 | TACR1 (0.43) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4020971 | 0.74 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5592060 | 0.71 | TACR1 (0.66) | TACR1 | |
| SCHEMBL12050386 | 0.70 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4185354 | 0.69 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL14304687 | 0.69 | TACR1 (0.78) | TACR1SLC6A4KCNH2 | |
| SCHEMBL12050188 | 0.69 | TACR1 (0.71) | TACR1SLC6A4KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009096941-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-06 | — | — | WO | disclosed |
| EP-2069328-A2 | 4-ARYLALKOXYMETHYL-4-PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS | Brystol-Myers Squibb Company (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008014247-A2 | 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |