Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | 0.93 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19851957 | 0.84 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19851924 | 0.84 | NAMPT (0.47) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834870 | 0.79 | NAMPT (0.60) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL19834837 | 0.79 | NAMPT (0.65) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834853 | 0.77 | NAMPT (0.47) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834861 | 0.76 | NAMPT (0.48) | NAMPTCYP3A4CYP2C9ALDH1A1BCHE | |
| SCHEMBL21060370 | 0.71 | NAMPT (0.71) | NAMPTCYP3A4CYP2C9BCHEACHE | |
| SCHEMBL19834841 | 0.71 | NAMPT (0.50) | NAMPTCYP3A4CYP2C9POLBALDH1A1 | |
| SCHEMBL13597168 | 0.71 | ALDH1A1 (0.60) | POLBNPC1ALDH1A1KMT2A |
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 |