Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL7394796 | 0.98 | KMT2A (0.40) | KMT2APOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7572754 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9002922 | 0.87 | KMT2A (0.42) | KMT2APOLBL3MBTL1SMYD3NOD1 | |
| SCHEMBL9003231 | 0.85 | KMT2A (0.43) | KMT2APOLBL3MBTL1GAANOD1 | |
| SCHEMBL7330812 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7332029 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7398204 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7390755 | 0.80 | BCHE (0.38) | GAAP2RY12 | |
| SCHEMBL7296673 | 0.79 | CYP1A2 (0.44) | KMT2ACYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7393473 | 0.78 | SYK (0.46) | CTSK |
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-0641779-A1 | Novel 1-amidinopiperdines and 4-amidinomorpholines as aggregation inhibitions | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-08 | — | — | EP | disclosed |