Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL932659 | 0.85 | TAAR1 (0.48) | SLC6A2SLC6A3TAAR1SLC6A4MAOA | |
| SCHEMBL2022682 | 0.81 | — | — | |
| SCHEMBL14478276 | 0.81 | — | — | |
| SCHEMBL13692285 | 0.81 | — | — | |
| SCHEMBL27593168 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A3TAAR1SLC6A4MAOA | |
| SCHEMBL5461044 | 0.78 | SLC6A2 (0.37) | SLC6A2SLC6A3TAAR1SLC6A4MAOA | |
| SCHEMBL10775150 | 0.77 | TAAR1 (0.67) | SLC6A2SLC6A3TAAR1SLC6A4MAOA | |
| SCHEMBL14620894 | 0.76 | ATM (0.53) | PTGS1PTGS2 | |
| SCHEMBL10872752 | 0.74 | TAAR1 (0.76) | SLC6A2SLC6A3TAAR1SLC6A4MAOA | |
| SCHEMBL10872755 | 0.74 | TAAR1 (0.76) | SLC6A2SLC6A3TAAR1SLC6A4MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1432011-A | Benzoamide piperidine compounds as substance P antagonists | PFIZER PROD INC (US) | 2003-07-23 | — | — | CN | disclosed |