Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7835551 | 1.00 | TACR1 (0.47) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7835553 | 1.00 | TACR1 (0.47) | TACR1CYP2D6KCNH2 | |
| SCHEMBL14414161 | 0.71 | TACR1 (0.52) | TACR1CYP2D6 | |
| SCHEMBL31401605 | 0.68 | TACR1 (0.45) | TACR1CYP2D6 | |
| SCHEMBL8630684 | 0.68 | TACR1 (0.48) | TACR1CYP2D6 | |
| SCHEMBL8630688 | 0.68 | TACR1 (0.48) | TACR1CYP2D6 | |
| SCHEMBL6670088 | 0.67 | TACR1 (0.62) | TACR1CYP2D6KCNH2 | |
| SCHEMBL6670082 | 0.67 | TACR1 (0.62) | TACR1CYP2D6KCNH2 | |
| SCHEMBL6670080 | 0.67 | TACR1 (0.62) | TACR1CYP2D6KCNH2 | |
| SCHEMBL8844548 | 0.67 | TACR1 (0.50) | TACR1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1114823-A2 | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 2001-07-11 | — | — | EP | claimed |