Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | MIF | P14174 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | DRD1 | P21728 | 2/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL632781 | 1.00 | TAAR1 (0.57) | TAAR1ADRB1ADRA1AMIFHTR2A | |
| SCHEMBL3005201 | 0.85 | TAAR1 (0.70) | TAAR1HTR2AHTR2BHDAC4HDAC2 | |
| SCHEMBL11467211 | 0.85 | ADRB1 (0.53) | TAAR1ADRB1ADRA1AMIFHTR2A | |
| SCHEMBL17399704 | 0.82 | HDAC4 (0.62) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL20738464 | 0.82 | ADRB1 (0.53) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL9169343 | 0.82 | ADRB1 (0.53) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL97542 | 0.82 | HDAC4 (0.62) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL26061384 | 0.80 | ADRB1 (0.52) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL15427747 | 0.80 | ADRB1 (0.52) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL28756553 | 0.79 | ADRB1 (0.50) | TAAR1ADRB1ADRA1AMIFHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |