Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092194 | 0.87 | CYP1A2 (0.43) | NAMPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7912463 | 0.80 | CA12 (0.37) | NAMPTCYP3A4PDCD1CD274TSHR | |
| SCHEMBL7902195 | 0.79 | ABL1 (0.44) | TSHRALOX15OPRD1OPRK1CA12 | |
| SCHEMBL7915828 | 0.78 | TSHR (0.39) | KDM4ETSHRALOX15CA12CA1 | |
| SCHEMBL7913727 | 0.78 | KDM4E (0.37) | NAMPTCYP3A4KMT2AKDM4ECXCR4 | |
| SCHEMBL7908933 | 0.78 | TSHR (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7914100 | 0.77 | HRH3 (0.43) | HRH3 | |
| SCHEMBL7915500 | 0.77 | ALDH1A1 (0.42) | KDM4EHRH3ALOX15ALDH1A1HSD17B10 | |
| SCHEMBL7912461 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9KMT2AKDM4E | |
| SCHEMBL7909508 | 0.76 | CA12 (0.37) | CYP3A4KMT2ATSHRHRH3ALOX15 |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |