Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23326947 | 0.98 | NPSR1 (0.40) | NPSR1CYP2C19LMNASMN1; SMN2AKR1C1 | |
| SCHEMBL9414299 | 0.95 | NPSR1 (0.39) | NPSR1CYP2C19LMNASMN1; SMN2AKR1C1 | |
| SCHEMBL28263664 | 0.76 | NPSR1 (0.43) | NPSR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL21598377 | 0.76 | NPSR1 (0.43) | NPSR1CYP2C19LMNASMN1; SMN2AKR1C1 | |
| SCHEMBL11302273 | 0.76 | NPSR1 (0.39) | NPSR1 | |
| SCHEMBL347564 | 0.76 | NPSR1 (0.39) | NPSR1CYP2C19LMNASMN1; SMN2USP2 | |
| SCHEMBL9414297 | 0.74 | NPSR1 (0.38) | NPSR1CYP2C19LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL2141643 | 0.73 | NPSR1 (0.45) | NPSR1 | |
| SCHEMBL10891621 | 0.71 | ARG1 (0.34) | LMNASMN1; SMN2 | |
| SCHEMBL29024276 | 0.71 | LMNA (0.31) | CYP2C19LMNASMN1; SMN2CYP1A2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100390535-C | Liquid-phase colour-spectrum quantitative analysis method for cyclohexane carboxylic-acid sulfoacid in process system for producing caprolactam by methylbenzene method | UNIV XIANGTAN (CN) | 2008-05-28 | — | — | CN | disclosed |
| CN-1936575-A | Liquid-phase colour-spectrum quantitative analysis method for cyclohexane carboxylic-acid sulfoacid in process system for producing caprolactam by methylbenzene method | UNIV XIANGTAN (CN) | 2007-03-28 | — | — | CN | disclosed |