Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3647068 | 1.00 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4PTGS1OPRM1 | |
| SCHEMBL28809365 | 0.82 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL4158218 | 0.82 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL4156194 | 0.82 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL17169355 | 0.78 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4DHFR | |
| SCHEMBL4307731 | 0.73 | LTA4H (0.46) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL27996273 | 0.72 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4DHFR | |
| Proline SCHEMBL5760690 | 0.72 | HTR2C (0.42) | PTGS1 | |
| Hydrochloric Acid SCHEMBL4313825 | 0.71 | SLC6A3 (0.51) | SLC6A3SLC6A2SLC6A4DHFR | |
| Hydrochloric Acid SCHEMBL4313832 | 0.71 | SLC6A3 (0.51) | SLC6A3SLC6A2SLC6A4DHFR |
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-2183216-A1 | 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS | F. Hoffmann-Roche AG (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009016048-A1 | 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |