Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | LCAT | P04180 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL1270114 | 0.98 | DHFR (0.58) | DHFRMAPTCYP3A4MAPK1LMNA | |
| SCHEMBL30582922 | 0.89 | DHFR (0.51) | DHFRMAPTCYP3A4MAPK1LMNA | |
| SCHEMBL30582912 | 0.89 | DHFR (0.51) | DHFRMAPTCYP3A4MAPK1LMNA | |
| SCHEMBL30582875 | 0.87 | DHFR (0.52) | DHFRMAPTCYP3A4MAPK1LMNA | |
| SCHEMBL30582888 | 0.87 | DHFR (0.52) | DHFRMAPTCYP3A4MAPK1LMNA | |
| SCHEMBL382350 | 0.83 | CHRNB2 (0.58) | DHFRMAPTCYP3A4LMNACHRNB2 | |
| SCHEMBL31774414 | 0.83 | CHRNB2 (0.58) | DHFRMAPTCYP3A4LMNACHRNB2 | |
| SCHEMBL13447351 | 0.83 | DHFR (0.58) | DHFRMAPTCYP3A4SMN1; SMN2HRH3 | |
| SCHEMBL16256660 | 0.82 | MAPT (0.53) | DHFRMAPTMAPK1LMNAHTT | |
| Hydrochloric Acid SCHEMBL382186 | 0.81 | CHRNB2 (0.57) | DHFRMAPTCYP3A4LMNACHRNB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021224864-A1 | NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2021-11-11 | — | — | WO | disclosed |
| CN-107001319-B | For inhibiting microsomal prostaglandin E2Carboxylic acid compounds of synthase-1 | 伊莱利利公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-107001319-A | For inhibiting microsomal prostaglandin E2Carboxylic acid compounds of synthase-1 | 伊莱利利公司 | 2017-08-01 | — | — | CN | disclosed |