Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27966211 | 0.84 | KMT2A (0.71) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13116727 | 0.79 | MEN1 (0.82) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3118513 | 0.78 | KMT2A (0.73) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3532211 | 0.77 | OPRK1 (0.60) | KMT2AMEN1PRKCQCHIAALDH1A1 | |
| SCHEMBL10107612 | 0.77 | KMT2A (0.64) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13116666 | 0.76 | PRKCQ (0.48) | KMT2APRKCQCNR1CNR2KDM4E | |
| SCHEMBL2743003 | 0.73 | TRPV1 (0.46) | PRKCQHDAC1 | |
| SCHEMBL4425614 | 0.73 | TRPV1 (0.46) | PRKCQHDAC1 | |
| SCHEMBL10017943 | 0.72 | SIGMAR1 (0.59) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2421374 | 0.72 | PRKCQ (0.45) | PRKCQHDAC1 |
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-104292210-A | Pyridine-containing nitric oxide donor compound and preparation method and use thereof | TIANJIN INST PHARM RESEARCH | 2015-01-21 | — | — | CN | disclosed |