Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 6/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20793245 | 0.85 | SLC7A5 (0.43) | SLC7A5FAAHNOS3NOS1NOS2 | |
| SCHEMBL7438290 | 0.81 | SLC7A5 (0.56) | SLC7A5FAAHALPIPKMPTGS1 | |
| SCHEMBL7269254 | 0.81 | SLC7A5 (0.56) | SLC7A5FAAHALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL6161681 | 0.79 | SLC7A5 (0.54) | SLC7A5FAAHALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL1126065 | 0.79 | SLC7A5 (0.54) | SLC7A5FAAHALPIPKMPTGS1 | |
| SCHEMBL22799775 | 0.79 | SLC7A5 (0.42) | SLC7A5FAAHNOS3NOS1NOS2 | |
| SCHEMBL20773133 | 0.79 | SLC7A5 (0.42) | SLC7A5FAAHNOS3NOS1NOS2 | |
| SCHEMBL20793460 | 0.79 | SLC7A5 (0.42) | SLC7A5FAAHNOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL22188682 | 0.78 | HTR2A (0.55) | — | |
| Trifluoroacetic Acid SCHEMBL9725806 | 0.75 | ALPI (0.49) | SLC7A5FAAHALPIPKMPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019043724-A1 | PROCESSES FOR THE PREPARATION OF (S)-2-(2-(BENZOFURAN-6-CARBONYL)-5,7-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXAMIDO)-3-(3-(METHYLSULFONYL)PHENYL) PROPANOIC ACID AND POLYMORPHS THEREOF | MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) | 2019-03-07 | — | — | WO | disclosed |