Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFATC1 | O95644 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 6/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 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 | |
|---|---|---|---|---|
| SCHEMBL16518149 | 0.87 | PNMT (0.42) | NFATC1GSK3BDYRK1AHTR2AHTR2C | |
| SCHEMBL16518159 | 0.87 | CDC7 (0.39) | GSK3BHTR2AHTR2CHTR2BCHRNB2 | |
| SCHEMBL16518147 | 0.84 | PNMT (0.40) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL16518185 | 0.81 | HTR2C (0.37) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL16518157 | 0.80 | PNMT (0.45) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL16518179 | 0.76 | HTR2C (0.35) | HTR2AHTR2CHTR2BPNMTSOS1 | |
| SCHEMBL16518186 | 0.75 | HTR5A (0.49) | HTR2AHTR2CHTR2BPNMTADRA2A | |
| SCHEMBL28452749 | 0.74 | GSK3B (0.38) | NFATC1GSK3BDYRK1APNMTADRA2A | |
| SCHEMBL16518198 | 0.73 | HTR5A (0.48) | HTR2AHTR2CHTR2BPNMTSOS1 | |
| SCHEMBL16518184 | 0.72 | HTR5A (0.46) | HTR2AHTR2CHTR2BPNMTADRA2A |
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 |