Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28463569 | 0.87 | CNR2 (0.43) | CYP2C19CNR2CNR1LMNAALDH1A1 | |
| SCHEMBL11320797 | 0.80 | CYP2C19 (0.54) | CYP2C19CNR2CNR1MCHR1LMNA | |
| SCHEMBL28895573 | 0.76 | CPA1 (0.46) | CYP2C19LMNAALDH1A1NPSR1CPA1 | |
| SCHEMBL11824331 | 0.73 | CYP2C19 (0.61) | CYP2C19CNR2CNR1MCHR1LMNA | |
| SCHEMBL28469381 | 0.71 | NR1D1 (0.42) | CNR2CNR1LMNAALDH1A1NPSR1 | |
| SCHEMBL11322173 | 0.70 | TSHR (0.48) | CYP2C19CNR2LMNAALDH1A1CYP2D6 | |
| SCHEMBL27949945 | 0.69 | CRHBP (0.57) | CYP2C19LMNANR3C1ALDH1A1CYP1A2 | |
| SCHEMBL28899284 | 0.67 | CYP2C19 (0.47) | CYP2C19CNR2LMNAALDH1A1CYP1A2 | |
| SCHEMBL10473950 | 0.66 | CYP2C19 (0.52) | CYP2C19CNR2CNR1MCHR1MAPT | |
| SCHEMBL11136763 | 0.65 | CYP2C19 (1.00) | CYP2C19CNR2CNR1MCHR1LMNA |
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-107522659-B | 3-nitroquinoline derivative and preparation method and application thereof | 云南大学 | 2020-09-29 | — | — | CN | disclosed |