Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15062927 | 0.88 | MMP1 (0.43) | ACEMEN1KMT2AMMP1MMP9 | |
| SCHEMBL15062926 | 0.88 | MMP1 (0.43) | ACEMEN1KMT2AMMP1MMP9 | |
| SCHEMBL15062860 | 0.87 | ACE (0.42) | ACEMEN1KMT2AMMP1MMP9 | |
| SCHEMBL15063008 | 0.80 | MMP1 (0.39) | ACEMEN1KMT2AMMP1MMP9 | |
| SCHEMBL15063006 | 0.80 | MMP1 (0.39) | ACEMEN1KMT2AMMP1MMP9 | |
| SCHEMBL2344921 | 0.77 | GPR132 (0.42) | ACEKMT2AMMP1MMP9MMP13 | |
| SCHEMBL14686198 | 0.74 | KDM4E (0.40) | ACEMMP1MMP9MMP13ADAM17 | |
| SCHEMBL1272373 | 0.73 | FOLH1 (0.43) | ACEGPR132RAB9APOLB | |
| SCHEMBL1272374 | 0.73 | FOLH1 (0.43) | ACEGPR132RAB9APOLB | |
| SCHEMBL15062930 | 0.71 | CTSL (0.38) | MEN1KMT2AMMP1MMP9MMP13 |
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-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |