Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | PRCP | P42785 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043608 | 0.88 | OPRM1 (0.43) | PRCPALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28313486 | 0.84 | ESR1 (0.65) | ESR1ESR2 | |
| SCHEMBL28043370 | 0.84 | HTR3A (0.41) | PRCPALDH1A1CYP1A2CYP2C19RAB9A | |
| SCHEMBL28043372 | 0.79 | ALDH1A1 (0.39) | PRCPALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL28043612 | 0.79 | MTNR1B (0.52) | ALDH1A1NPC1CYP3A4RAB9ACHRNA7 | |
| SCHEMBL24157610 | 0.78 | ESR1 (0.51) | ESR1ESR2PRCPGAAGFER | |
| SCHEMBL28824434 | 0.77 | HDAC3 (0.40) | GAAALDH1A1SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL12233898 | 0.77 | PRCP (0.54) | PRCPCHRNA7 | |
| SCHEMBL2088764 | 0.77 | PRCP (0.54) | PRCPCHRNA7 | |
| SCHEMBL28313493 | 0.77 | HRH3 (0.52) | ESR1ESR2 |
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-105153029-B | Method for synthesizing isoquinoline ketone compounds | 陕西师范大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-105153029-A | Method for synthesizing isoquinoline ketone compounds | UNIV SHAANXI NORMAL | 2015-12-16 | — | — | CN | disclosed |