Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8008293 | 0.99 | MTNR1A (0.35) | MTNR1AMTNR1BENPP2BRD9ALDH1A1 | |
| SCHEMBL8008368 | 0.98 | MTNR1A (0.36) | MTNR1AMTNR1BENPP2BRD9ALDH1A1 | |
| SCHEMBL8014614 | 0.88 | ENPP2 (0.32) | MTNR1AMTNR1BENPP2 | |
| SCHEMBL8005853 | 0.83 | ENPP2 (0.33) | MTNR1AMTNR1BENPP2 | |
| SCHEMBL8010307 | 0.79 | ENPP2 (0.34) | MTNR1AMTNR1BENPP2BRD9ABCB1 | |
| SCHEMBL8016004 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTRAB9AGAASLC6A4 | |
| SCHEMBL8009964 | 0.77 | ENPP2 (0.34) | ENPP2BRD9 | |
| SCHEMBL10260742 | 0.76 | SPHK2 (0.32) | SPHK2ABCB1ABCG2 | |
| SCHEMBL10260745 | 0.76 | SPHK2 (0.32) | SPHK2ABCB1ABCG2 | |
| SCHEMBL7999100 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPTRAB9AGAASLC6A4 |
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 |