Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL19834824 | 0.85 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19851958 | 0.84 | NAMPT (0.47) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19834870 | 0.80 | NAMPT (0.60) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19834841 | 0.72 | NAMPT (0.50) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19834837 | 0.71 | NAMPT (0.65) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834829 | 0.70 | SMN1; SMN2 (0.60) | POLBALDH1A1PKMSMN1; SMN2HTR1A | |
| SCHEMBL19834766 | 0.70 | NAMPT (0.54) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19842211 | 0.69 | NAMPT (0.49) | NAMPTCYP3A4CYP2C9PKM | |
| SCHEMBL13597168 | 0.69 | ALDH1A1 (0.60) | POLBALDH1A1PKMSMN1; SMN2 | |
| SCHEMBL19317565 | 0.69 | NAMPT (0.82) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018024907-A1 | PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER | CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) | 2018-02-08 | — | — | WO | disclosed |