Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | PRCP | P42785 | 3/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600446 | 0.83 | PRCP (0.45) | ESR1ESR2PRCPDRD1CHRNA7 | |
| SCHEMBL3993898 | 0.77 | ACE (0.50) | ACEHHATCYP2D6DRD1MTNR1B | |
| SCHEMBL28921434 | 0.76 | ESR1 (0.39) | ESR1ESR2PRCPACECHRNA7 | |
| SCHEMBL25163043 | 0.76 | PRCP (0.47) | ESR1ESR2PRCPDRD1CHRNA7 | |
| SCHEMBL2600445 | 0.76 | PRCP (0.47) | ESR1ESR2PRCPDRD1CHRNA7 | |
| SCHEMBL2602146 | 0.76 | ESR1 (0.47) | ESR1ESR2PRCPCHRNA7 | |
| SCHEMBL24157610 | 0.75 | ESR1 (0.51) | ESR1ESR2PRCPCHRNA7 | |
| SCHEMBL28921437 | 0.74 | ESR1 (0.40) | ESR1ESR2PRCPACEMTNR1B | |
| SCHEMBL24917154 | 0.73 | PRCP (0.45) | ESR1ESR2PRCPDRD1CHRNA7 | |
| SCHEMBL30231328 | 0.72 | ESR1 (0.43) | ESR1ESR2PRCPACEHHAT |
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-102627604-B | Two class isoquinoline compounds and as the application preparing cancer therapy drug | NORTHWEST A & F UNIVERSITY (CN) | 2015-12-09 | — | — | CN | claimed |
| CN-102627604-B | Two class isoquinoline compounds and as the application preparing cancer therapy drug | NORTHWEST A & F UNIVERSITY (CN) | 2015-12-09 | — | — | CN | disclosed |