Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 5/20 | 0.34 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.34 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | CKS1B | P61024 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21122995 | 0.83 | LMNA (0.34) | MEN1KMT2AIDH2 | |
| SCHEMBL8151248 | 0.68 | CASP6 (0.42) | MEN1CYP1A2KMT2ACKS1BSKP1 | |
| SCHEMBL10055159 | 0.63 | TSHR (0.46) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL13419067 | 0.61 | CYP3A4 (0.63) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL2070684 | 0.61 | KDM4E (0.56) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL6320619 | 0.60 | KDM1A (0.36) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| Hydrochloric Acid SCHEMBL5219864 | 0.60 | KDM4E (0.55) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL2266909 | 0.60 | CHRNB2 (0.49) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL1136912 | 0.60 | AKT2 (0.47) | HRH3HTR3EMEN1HTR3BCYP1A2 | |
| SCHEMBL223203 | 0.60 | CHKA (0.59) | HRH3HTR3EMEN1HTR3BCYP1A2 |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |