Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008671 | 0.86 | ALDH1A1 (0.36) | ALDH1A1RAB9A | |
| SCHEMBL7999097 | 0.83 | ALDH1A1 (0.39) | ALDH1A1RAB9AMAPT | |
| SCHEMBL8016004 | 0.83 | ALDH1A1 (0.39) | ALDH1A1RAB9AMAPT | |
| SCHEMBL7999173 | 0.82 | ALDH1A1 (0.39) | ALDH1A1RAB9AMAPT | |
| SCHEMBL7999100 | 0.82 | ALDH1A1 (0.39) | ALDH1A1RAB9AMAPT | |
| SCHEMBL10260794 | 0.80 | — | — | |
| SCHEMBL10293085 | 0.79 | — | — | |
| SCHEMBL8008288 | 0.79 | ALDH1A1 (0.31) | ALDH1A1RAB9A | |
| SCHEMBL8010958 | 0.79 | TACR1 (0.39) | ALDH1A1RAB9AMAPT | |
| SCHEMBL8014614 | 0.74 | ENPP2 (0.32) | — |
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-2009134987-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |