Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28242806 | 0.82 | APEX1 (0.43) | NR1H4ADAM17NPSR1HSP90AA1HSP90AB1 | |
| SCHEMBL29040644 | 0.80 | NR1H4 (0.52) | NR1H4ADAM17NPSR1CYP2C19SMN1; SMN2 | |
| SCHEMBL31222192 | 0.77 | CYP1A2 (0.40) | NR1H4CYP2C19CYP1A2GAALMNA | |
| SCHEMBL10442609 | 0.76 | CYP1A2 (0.47) | CYP2C19CYP1A2GAALMNAMAPT | |
| SCHEMBL27862063 | 0.74 | CYP2C19 (0.38) | NR1H4CYP2C19CYP1A2GAALMNA | |
| SCHEMBL9259675 | 0.73 | CYP2C19 (0.43) | NR1H4HSP90AA1HSP90AB1CYP2C19CYP1A2 | |
| SCHEMBL7950344 | 0.73 | CYP1A2 (0.33) | CYP2C19CYP1A2SMN1; SMN2GAACYP2D6 | |
| SCHEMBL7157824 | 0.73 | CYP1A2 (0.33) | CYP2C19CYP1A2SMN1; SMN2GAACYP2D6 | |
| SCHEMBL17266677 | 0.73 | ALOX5 (0.50) | GAALMNA | |
| SCHEMBL2895917 | 0.73 | CYP1A2 (0.33) | CYP2C19CYP1A2SMN1; SMN2GAACYP2D6 |
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-109777089-A | A kind of nylon material and preparation method thereof | 江苏博云塑业股份有限公司 | 2019-05-21 | — | — | CN | disclosed |