Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL68561 | 0.78 | THRB (0.70) | HSP90AA1THRBTDP1PDK2FABP4 | |
| SCHEMBL30519841 | 0.78 | THRB (0.70) | HSP90AA1THRBTDP1PDK2FABP4 | |
| SCHEMBL120476 | 0.76 | THRB (0.53) | HSP90AA1THRBTDP1SRD5A2PDK2 | |
| SCHEMBL58474 | 0.73 | PNMT (0.58) | THRBTDP1HTR2BNPC1RAB9A | |
| SCHEMBL28066886 | 0.73 | PNMT (0.58) | THRBTDP1HTR2BNPC1RAB9A | |
| Phenol SCHEMBL29142512 | 0.70 | PNMT (0.51) | TDP1SRD5A2HTR2BNPC1RAB9A | |
| SCHEMBL8539410 | 0.69 | THRB (0.55) | THRBTDP1PDK2SLC6A4FABP4 | |
| Dimethylamine SCHEMBL15440644 | 0.68 | NPC1 (0.53) | CYP1A2HTR2BHTR2CNPC1RAB9A | |
| SCHEMBL1921628 | 0.67 | KDM4E (0.59) | HSP90AA1CNR1SRD5A2CYP1A2HTR2B | |
| SCHEMBL27642016 | 0.66 | HSP90AA1 (0.47) | HSP90AA1NPC1RAB9ACYP2C9ALOX15 |
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-2011094219-A1 | VESICULAR FORMULATIONS | KROON HENDRICK-ANDRE (US) | 2011-08-04 | — | — | WO | disclosed |