Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21094145 | 0.85 | KCNH2 (0.41) | CYP1A2CHRM2CHRM1HTR2AHTR2B | |
| SCHEMBL24389487 | 0.85 | KDM4E (0.31) | ALDH1A1HRH3CYP3A4SMN1; SMN2 | |
| SCHEMBL21093667 | 0.77 | LPL (0.58) | ALDH1A1HTR2ALMNACA1CA2 | |
| SCHEMBL14302548 | 0.76 | LPL (0.61) | CA1CA2CA9LTA4HCYP3A4 | |
| SCHEMBL20569274 | 0.76 | HRH3 (0.35) | HRH3LMNA | |
| SCHEMBL18727880 | 0.74 | LPL (0.62) | LMNATSHRCA1CA2CA9 | |
| SCHEMBL23635245 | 0.73 | LPL (0.38) | LPLLIPG | |
| SCHEMBL15037360 | 0.73 | LPL (0.63) | LMNATSHRCA1CA2CA9 | |
| SCHEMBL16790069 | 0.73 | LPL (0.56) | CYP1A2CA1CA2CA9CYP3A4 | |
| SCHEMBL25527190 | 0.73 | LPL (0.63) | LMNATSHRCA1CA2CA9 |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |