Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000063 | 1.00 | TAAR1 (0.52) | TAAR1ALDH1A1CYP2D6IDO1HRH3 | |
| SCHEMBL7989614 | 1.00 | TAAR1 (0.52) | TAAR1ALDH1A1CYP2D6IDO1HRH3 | |
| SCHEMBL7990214 | 0.98 | TAAR1 (0.53) | TAAR1ALDH1A1CYP2D6IDO1HRH3 | |
| SCHEMBL12136331 | 0.93 | TAAR1 (0.55) | TAAR1ALDH1A1CYP2D6IDO1HRH3 | |
| SCHEMBL8086943 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS | |
| SCHEMBL8094389 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS | |
| SCHEMBL8095693 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS | |
| SCHEMBL8092438 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS | |
| SCHEMBL8094741 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS | |
| SCHEMBL8102622 | 0.87 | TAAR1 (0.65) | TAAR1IDO1HRH3NAAAFDPS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009079353-A1 | TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-25 | — | — | WO | disclosed |