Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5592184 | 0.89 | TACR1 (0.58) | TACR1SLC6A4 | |
| SCHEMBL5592059 | 0.81 | TACR1 (0.53) | TACR1SLC6A4 | |
| SCHEMBL5591972 | 0.77 | TACR1 (0.60) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5591980 | 0.76 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5592010 | 0.76 | TACR1 (0.64) | TACR1 | |
| SCHEMBL5592203 | 0.73 | TACR1 (0.83) | TACR1 | |
| SCHEMBL1388730 | 0.73 | TACR1 (0.77) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388510 | 0.73 | TACR1 (0.71) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8114845 | 0.72 | TACR1 (0.75) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8123020 | 0.72 | TACR1 (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | WO | disclosed |