Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14368318 | 0.92 | CA12 (0.58) | TSHRKDM4EEPHX2HRH3MAPK1 | |
| SCHEMBL21757567 | 0.91 | HRH3 (0.63) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 | |
| SCHEMBL21757629 | 0.90 | HRH3 (0.58) | KDM4EEPHX2HRH3MAPK1ALDH1A1 | |
| SCHEMBL21757618 | 0.89 | KDM4E (0.59) | KDM4EEPHX2HRH3MAPK1ALDH1A1 | |
| SCHEMBL21276708 | 0.85 | HRH3 (0.59) | EPHX2HRH3MAPK1ALDH1A1CYP1A2 | |
| SCHEMBL11534933 | 0.81 | APP (0.46) | TSHRKDM4EMAPK1ALDH1A1LMNA | |
| SCHEMBL7353127 | 0.80 | LTA4H (0.58) | KDM4EHRH3KCNH2 | |
| SCHEMBL21276770 | 0.79 | MCHR1 (0.50) | HRH3CYP1A2CHRM1HTR2ACA12 | |
| SCHEMBL24398699 | 0.79 | TSHR (0.76) | TSHRKDM4EHRH3MAPK1ALDH1A1 | |
| SCHEMBL7008655 | 0.78 | TSHR (0.76) | TSHRKDM4EHRH3MAPK1ALDH1A1 |
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 |