Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206712 | 0.85 | SLC6A2 (0.62) | TACR1SLC6A2SLC6A3SLC6A4RPS6KB1 | |
| SCHEMBL8784212 | 0.84 | TACR1 (0.64) | TACR1SLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL8783832 | 0.81 | TACR1 (0.61) | TACR1SLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL7926027 | 0.75 | TACR1 (0.73) | TACR1MCHR1 | |
| SCHEMBL7936444 | 0.74 | TACR1 (0.67) | TACR1MCHR1 | |
| SCHEMBL9054572 | 0.73 | TACR1 (0.66) | TACR1MCHR1 | |
| SCHEMBL7936441 | 0.73 | TACR1 (0.71) | TACR1 | |
| SCHEMBL9054577 | 0.73 | TACR1 (0.74) | TACR1 | |
| SCHEMBL7934599 | 0.73 | TACR1 (1.00) | TACR1 | |
| SCHEMBL7936466 | 0.73 | TACR1 (0.78) | TACR1MCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0781277-A1 | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008480-A1 | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1996-03-21 | — | — | WO | disclosed |