Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 15/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19842220 | 0.88 | NAMPT (0.49) | NAMPTCYP3A4CYP2C9 | |
| SCHEMBL19851883 | 0.88 | NAMPT (0.69) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834830 | 0.85 | NAMPT (0.51) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834878 | 0.85 | NAMPT (0.52) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19842213 | 0.84 | NAMPT (0.47) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL81853 | 0.84 | NAMPT (0.50) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL81852 | 0.84 | NAMPT (0.50) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19842232 | 0.83 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19842221 | 0.83 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19851943 | 0.82 | NAMPT (0.49) | NAMPTCYP3A4CYP2C9BCHEACHE |
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-3279192-A1 | PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER | Centre Hospitalier Universitaire Vaudois (CHUV) (CH) | 2018-02-07 | — | — | EP | disclosed |