Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017123 | 0.84 | TAAR1 (0.48) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL24017125 | 0.84 | TAAR1 (0.48) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL11068499 | 0.84 | SLC6A4 (0.58) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL42179 | 0.82 | TAAR1 (0.64) | TAAR1CYP2A6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL22873938 | 0.82 | TAAR1 (0.64) | TAAR1CYP2A6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL81938 | 0.82 | TAAR1 (0.64) | TAAR1CYP2A6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL14040458 | 0.80 | IDO1 (0.48) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| Hydrochloric Acid SCHEMBL15204356 | 0.80 | TAAR1 (0.61) | TAAR1CYP2A6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL17045221 | 0.80 | TAAR1 (0.44) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL17045209 | 0.80 | TAAR1 (0.44) | TAAR1CYP1A2CYP2A6AGXTIDO1 |
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-3018123-B1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2023-05-10 | — | — | EP | disclosed |
| WO-2020099596-A1 | NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 | UNIVERSITE DE ROUEN NORMANDIE (FR) | 2020-05-22 | — | — | WO | disclosed |