Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13846007 | 0.82 | ADRA1A (0.39) | ADRA1ATAAR1MTNR1AMTNR1BIDO1 | |
| SCHEMBL7315568 | 0.78 | ADRA1A (0.44) | ADRA1ATAAR1IDO1AOC3ERBB2 | |
| SCHEMBL30169490 | 0.76 | ADRA1A (0.43) | ADRA1ATAAR1IDO1AOC3 | |
| SCHEMBL3651637 | 0.76 | ADRA1A (0.43) | ADRA1ATAAR1IDO1AOC3 | |
| SCHEMBL10411871 | 0.73 | HTR2A (0.55) | MTNR1AMTNR1BL3MBTL1AOC3 | |
| SCHEMBL8230324 | 0.73 | HTR2A (0.54) | ADRA1ATAAR1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL10412386 | 0.72 | HTR2A (0.54) | MTNR1AMTNR1BL3MBTL1AOC3 | |
| SCHEMBL8824014 | 0.72 | KDM4E (0.46) | ADRA1ATAAR1IDO1 | |
| SCHEMBL13313190 | 0.72 | TDP1 (0.63) | TAAR1TDP1L3MBTL1IDO1AOC3 | |
| SCHEMBL13845938 | 0.71 | ADRA1A (0.39) | ADRA1ATAAR1MTNR1AMTNR1B |
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-2009064955-A1 | MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |