Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2375987 | 0.95 | HTR7 (0.42) | SIGMAR1NPSR1HTR7HRH3MAPK1 | |
| SCHEMBL2375260 | 0.86 | SIGMAR1 (0.46) | SIGMAR1HTR7HRH3MAPK1CHRM1 | |
| SCHEMBL2377649 | 0.80 | LMNA (0.50) | SIGMAR1HTR7ALDH1A1LMNA | |
| SCHEMBL3576244 | 0.78 | SIGMAR1 (0.60) | SIGMAR1HRH3CHRM1HTR2AALDH1A1 | |
| SCHEMBL3225925 | 0.78 | KDM4E (0.46) | NPSR1HRH3MAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3562916 | 0.77 | SIGMAR1 (0.59) | SIGMAR1HRH3CHRM1HTR2AALDH1A1 | |
| SCHEMBL2376367 | 0.75 | MAPT (0.58) | SIGMAR1HTR7ALDH1A1CYP1A2POLB | |
| SCHEMBL13103802 | 0.73 | POLB (0.48) | ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL2157801 | 0.72 | ALDH1A1 (0.51) | SIGMAR1HRH3MAPK1CHRM1HTR2A | |
| SCHEMBL11440371 | 0.71 | HTR7 (0.53) | SIGMAR1HTR7ALDH1A1POLBSMN1; SMN2 |
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-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |