Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9895726 | 0.84 | NCF1 (0.46) | KDM4ELMNAPOLBMEN1KMT2A | |
| SCHEMBL9896964 | 0.83 | AAK1 (0.44) | MAOAKCNH2AAK1ATMCYP19A1 | |
| SCHEMBL9894903 | 0.83 | CYP19A1 (0.45) | KCNH2HRH3AAK1CYP19A1 | |
| SCHEMBL9894682 | 0.82 | CYP19A1 (0.42) | AAK1CYP19A1 | |
| SCHEMBL9894758 | 0.82 | CYP19A1 (0.36) | AAK1CYP19A1 | |
| SCHEMBL9896553 | 0.81 | CYP17A1 (0.50) | AAK1 | |
| SCHEMBL9945353 | 0.81 | NCF1 (0.39) | KDM4ELMNAHTTMEN1KMT2A | |
| SCHEMBL9896550 | 0.80 | MAOA (0.38) | LMNAADORA3MAOASLC6A2SLC6A3 | |
| SCHEMBL9965157 | 0.80 | CYP17A1 (0.43) | KDM4ELMNAPOLBCASP6PLAU | |
| SCHEMBL9895652 | 0.77 | CYP17A1 (0.53) | AAK1 |
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-2012082746-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |