Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL8009912 | 0.88 | ALDH1A1 (0.38) | ALDH1A1RAB9AL3MBTL1HCRTR2CYP1A2 | |
| SCHEMBL8008288 | 0.86 | ALDH1A1 (0.31) | ALDH1A1RAB9A | |
| SCHEMBL8005747 | 0.86 | ALDH1A1 (0.37) | ALDH1A1RAB9AL3MBTL1CYP1A2SLC5A7 | |
| SCHEMBL7999092 | 0.84 | ALDH1A1 (0.36) | ALDH1A1RAB9AL3MBTL1CYP1A2SLC5A7 | |
| SCHEMBL7998586 | 0.84 | ALDH1A1 (0.35) | ALDH1A1RAB9AL3MBTL1CYP1A2SLC5A7 | |
| SCHEMBL10260150 | 0.81 | CSF1R (0.30) | — | |
| SCHEMBL8008671 | 0.81 | ALDH1A1 (0.36) | ALDH1A1RAB9AL3MBTL1HCRTR2CYP1A2 | |
| SCHEMBL8000689 | 0.81 | ENPP2 (0.32) | — | |
| SCHEMBL10292899 | 0.79 | — | — | |
| SCHEMBL8009669 | 0.79 | ALDH1A1 (0.35) | ALDH1A1RAB9AL3MBTL1 |
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 |