Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13846207 | 0.85 | LRRK2 (0.46) | LRRK2KDM2BKDM4CNPC1NFKB1 | |
| SCHEMBL6609423 | 0.82 | TRPV1 (0.42) | ESR2ARTRPV1ESR1NPC1 | |
| SCHEMBL15650550 | 0.81 | ALDH1A1 (0.48) | ESR2LRRK2KDM2BKDM4CNPC1 | |
| SCHEMBL5058907 | 0.79 | ALDH1A1 (0.42) | LRRK2KDM2BKDM4CNPC1RAB9A | |
| SCHEMBL5064586 | 0.79 | XDH (0.49) | LRRK2KDM2BKDM4CNPC1RAB9A | |
| SCHEMBL8211774 | 0.78 | HRH4 (0.49) | LRRK2TRPV1ALDH1A1 | |
| SCHEMBL13838574 | 0.78 | KDM2B (0.42) | LRRK2KDM2BKDM4CNPC1NFKB1 | |
| SCHEMBL13729002 | 0.77 | KDM2B (0.41) | LRRK2KDM2BKDM4CNPC1NFKB1 | |
| SCHEMBL2611134 | 0.75 | KMT2A (0.54) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL851750 | 0.75 | NPC1 (0.52) | KDM4CESR1NPC1NFKB1RAB9A |
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-2008021733-A2 | TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |