Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17593426 | 0.85 | ALOX5 (0.47) | LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL17593603 | 0.84 | ALOX5 (0.46) | MEN1KMT2A | |
| SCHEMBL2502379 | 0.83 | HIF1A (0.49) | KEAP1NFE2L2LMNAMAPK1PTGS2 | |
| SCHEMBL2498784 | 0.83 | HIF1A (0.49) | KEAP1NFE2L2LMNAMAPK1PTGS2 | |
| SCHEMBL16908655 | 0.82 | CYP2D6 (0.45) | CYP2D6SRCKEAP1NFE2L2LMNA | |
| SCHEMBL16908662 | 0.82 | CYP2D6 (0.45) | CYP2D6SRCKEAP1NFE2L2LMNA | |
| SCHEMBL16908665 | 0.81 | HTT (0.45) | CYP2D6SRCKEAP1NFE2L2LMNA | |
| SCHEMBL9178919 | 0.78 | ADRA2C (0.43) | CYP2D6LMNAMEN1KMT2A | |
| SCHEMBL14533753 | 0.78 | ADRA2C (0.43) | CYP2D6LMNAMEN1KMT2A | |
| SCHEMBL14367700 | 0.77 | TAAR1 (0.40) | CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105601495-A | Synthesis method of netupitant intermediates | HEFEI LEAF BIO-TECH CO LTD | 2016-05-25 | — | — | CN | disclosed |