Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7307136 | 0.83 | HDAC3 (0.38) | GRM2CYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL6792190 | 0.82 | GRM2 (0.43) | GRM2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL7317645 | 0.79 | BCHE (0.42) | BCHEACHEF2TMPRSS6PLG | |
| SCHEMBL7944783 | 0.78 | GRM2 (0.44) | GRM2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL18300382 | 0.77 | HDAC3 (0.41) | GRM2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL5846695 | 0.77 | HDAC1 (0.43) | GRM2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL8363611 | 0.77 | HDAC3 (0.43) | GRM2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL5595635 | 0.77 | NAMPT (0.58) | CYP17A1HDAC1NAMPTAURKARPS6KB1 | |
| SCHEMBL3440346 | 0.77 | KIF11 (0.43) | CYP17A1BCHEACHENPC1 | |
| SCHEMBL7421165 | 0.76 | MEN1 (0.39) | BCHEACHEF2TMPRSS6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6288077-B1 | 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS | ADIR ET COMPAGNIE (FR) | 2001-09-11 | — | — | US | disclosed |