Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL902538 | 0.89 | EPHX1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL2736329 | 0.89 | EPHX1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL7307677 | 0.89 | EPHX1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL902546 | 0.89 | EPHX1 (0.61) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL13093525 | 0.81 | TAAR1 (0.53) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL11828128 | 0.78 | SLC6A2 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL11828122 | 0.78 | SLC6A2 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL13733263 | 0.76 | EPHX1 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL12491357 | 0.76 | MAOB (0.54) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL21065984 | 0.76 | EPHX1 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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-2012045007-A1 | METHOD OF PREPARATION OF (4 - {4 -ACETYLAMINO- 2 - [3- ( 2 - ISOPROPYL - THIAZOL - 4 - YLMETHYL) - 3 -METHYL - UREIDO] - BUTYRYL AMINO} -1 -BENZYL- 5 -PHENYL- PENTYL) -CARBAMIC ACID THIAZOL - 5 - YLMETHYL ESTER | GILEAD SCIENCES, INC. (US) | 2012-04-05 | — | — | WO | disclosed |