Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28444976 | 0.80 | EGFR (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1665791 | 0.79 | HTR2A (0.47) | HTR2AMEN1KMT2AMAOBCYP1A2 | |
| SCHEMBL9427287 | 0.78 | HTR2A (0.44) | HTR2AMEN1KMT2ARELAHDAC3 | |
| SCHEMBL14146002 | 0.78 | HTR2A (0.47) | HTR2AMEN1KMT2AMAOBCYP1A2 | |
| SCHEMBL27396191 | 0.78 | HTR2A (0.47) | HTR2AMEN1KMT2AMAOBCYP1A2 | |
| SCHEMBL6897132 | 0.77 | MEN1 (0.42) | HTR2AMEN1KMT2ARELAHDAC3 | |
| SCHEMBL488956 | 0.77 | MEN1 (0.46) | HTR2AMEN1KMT2ARELAHDAC3 | |
| SCHEMBL6897130 | 0.77 | MEN1 (0.42) | HTR2AMEN1KMT2ARELAHDAC3 | |
| SCHEMBL28746201 | 0.77 | HTR2A (0.40) | HTR2AMEN1KMT2ARELAHDAC3 | |
| SCHEMBL7302039 | 0.76 | HTR2A (0.46) | HTR2AHDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468744-A2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-27 | — | — | EP | disclosed |