Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SCN1A | P35498 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951665 | 0.83 | HRH3 (0.41) | ESR1ESR2HRH3KCNH2HRH2 | |
| SCHEMBL20029 | 0.83 | NPC1 (0.61) | MAPK1HRH3ALDH1A1CYP1A2CHRM2 | |
| SCHEMBL5656590 | 0.81 | HRH3 (0.43) | ESR1ESR2HRH3KCNH2TSHR | |
| SCHEMBL255055 | 0.81 | ESR1 (0.58) | ESR1ESR2MAPK1HRH3ALDH1A1 | |
| SCHEMBL1442766 | 0.81 | HRH3 (0.69) | MAPK1HRH3ALDH1A1CYP1A2CHRM2 | |
| SCHEMBL14100110 | 0.79 | ESR1 (0.49) | ESR1ESR2MAPK1HRH3ALDH1A1 | |
| SCHEMBL8927890 | 0.79 | SMN1; SMN2 (0.65) | ESR1ESR2MAPK1HRH3ALDH1A1 | |
| SCHEMBL9051947 | 0.79 | ALDH1A1 (0.55) | ESR1ESR2MAPK1HRH3ALDH1A1 | |
| SCHEMBL3141711 | 0.74 | NPC1 (0.72) | MAPK1HRH3ALDH1A1CYP1A2CHRM2 | |
| SCHEMBL3141155 | 0.73 | HRH3 (0.73) | MAPK1HRH3ALDH1A1CYP1A2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4452789-A | CARDIOVASCULAR DISORDERS | BOEHRINGER INGELHEIM KG (DE) | 1984-06-05 | — | — | US | disclosed |