Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.49 |
| ▸ | CASR | P41180 | 5/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7559731 | 0.86 | CASR (0.69) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7559732 | 0.86 | CASR (0.69) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7557090 | 0.86 | CASR (0.69) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7559727 | 0.86 | CASR (0.69) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7558117 | 0.81 | KMT2A (0.50) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7558124 | 0.81 | KMT2A (0.50) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| SCHEMBL7558130 | 0.81 | KMT2A (0.50) | CYP2D6SLC6A2SLC6A4CASRSLC6A3 | |
| Hydrochloric Acid SCHEMBL11090710 | 0.81 | HTR1A (0.54) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11092538 | 0.80 | HTR1A (0.56) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10929034 | 0.80 | HTR1A (0.71) | HTR1AADRA2AADRA2BMAOAHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002072760-A2 | PCRA HELICASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-19 | — | — | WO | disclosed |