Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 2/20 | 0.49 |
| ▸ | PNMT | P11086 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| SCHEMBL16518011 | 0.81 | HTR5A (0.47) | HTR5AGABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL16518022 | 0.79 | PRCP (0.56) | PRCPPNMTHTR2CHTR2BCD44 | |
| SCHEMBL16518183 | 0.79 | HTR5A (0.49) | HTR5APDCD1CD274GABRG2GABRB3 | |
| SCHEMBL16518188 | 0.78 | PNMT (0.41) | HTR5APNMTGABRG2GABRB3GABRA5 | |
| SCHEMBL16518127 | 0.78 | PRCP (0.55) | PRCPPNMTHDAC1HDAC6HDAC5 | |
| SCHEMBL16518132 | 0.75 | PRCP (0.58) | PRCPHTR5APNMTHDAC1HDAC6 | |
| SCHEMBL16518079 | 0.74 | PRCP (0.61) | PRCPPNMTHTR2CHTR2BCHRM2 | |
| SCHEMBL16518140 | 0.73 | PRCP (0.52) | PRCPPNMTCHRM2CHRM4CHRM5 | |
| SCHEMBL16518013 | 0.73 | PRCP (0.59) | PRCPPNMTHTR2CHTR2BCHRM2 | |
| SCHEMBL3052029 | 0.71 | PNMT (0.61) | PRCPPNMTHTR2CHTR2BCHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2671869-B1 | TETRAHYDROISOQUINOLINE DERIVATIVE | ASTELLAS PHARMA INC (JP) | 2015-11-04 | — | — | EP | disclosed |
| US-8962612-B2 | Tetrahydroisoquinoline derivative | ASTELLAS PHARMA INC. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8962612-B2 | Tetrahydroisoquinoline derivative | ASTELLAS PHARMA INC. (JP) | 2015-02-24 | — | — | US | disclosed |