Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7379399 | 0.82 | ENPP2 (0.33) | HTR2BCYP2C19ACHEHDAC3HDAC1 | |
| SCHEMBL7372856 | 0.81 | CYP2C19 (0.32) | HTR2BCYP2C19ACHEHDAC3HDAC1 | |
| SCHEMBL8073280 | 0.79 | CYP2C19 (0.31) | HTR2BCYP2C19ACHEHDAC3HDAC1 | |
| SCHEMBL7378179 | 0.77 | HDAC3 (0.33) | HTR2BCYP2C19ACHEHDAC3HDAC1 | |
| SCHEMBL3465303 | 0.73 | HTR2B (0.42) | HTR2BCYP2C19ACHE | |
| SCHEMBL3465982 | 0.71 | HTR2B (0.41) | HTR2BCYP2C19ACHE | |
| SCHEMBL6087013 | 0.68 | CSNK2A1 (0.30) | — | |
| SCHEMBL14151952 | 0.67 | HTR2B (0.38) | HTR2BCYP2C19ACHE | |
| SCHEMBL6085238 | 0.67 | HDAC3 (0.38) | HDAC3HDAC1HDAC6ALOX15KDM4E | |
| SCHEMBL5848285 | 0.67 | HDAC3 (0.38) | HDAC3HDAC1HDAC6ALOX15 |
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-1996019483-A1 | LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS | BIOCHEM PHARMA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |