Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | SCN1A | P35498 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.57 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21757629 | 0.99 | HRH3 (0.58) | KDM4ESMN1; SMN2EPHX2HRH3MAPK1 | |
| SCHEMBL21757567 | 0.95 | HRH3 (0.63) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 | |
| SCHEMBL14368318 | 0.91 | CA12 (0.58) | KDM4ESMN1; SMN2EPHX2HRH3MAPK1 | |
| SCHEMBL21276708 | 0.89 | HRH3 (0.59) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 | |
| SCHEMBL21757596 | 0.89 | TSHR (0.66) | KDM4ESMN1; SMN2EPHX2HRH3MAPK1 | |
| SCHEMBL21757528 | 0.85 | HRH3 (0.62) | HRH3KCNH2MEN1KMT2ALMNA | |
| SCHEMBL17296202 | 0.81 | HRH3 (0.62) | KDM4ESMN1; SMN2HRH3MAPK1ALDH1A1 | |
| SCHEMBL21276824 | 0.79 | HRH3 (0.51) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 | |
| SCHEMBL21276814 | 0.79 | EPHX2 (0.51) | KDM4EEPHX2HRH3MAPK1ALDH1A1 | |
| SCHEMBL21276719 | 0.79 | HRH3 (0.48) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 |
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-3215509-B1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC (US) | 2020-02-26 | — | — | EP | disclosed |