Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | CBLB | Q13191 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11919074 | 0.70 | SIGMAR1 (0.39) | ALDH1A1SIGMAR1 | |
| SCHEMBL15219342 | 0.69 | SIGMAR1 (0.41) | ALDH1A1SIGMAR1TLR7 | |
| SCHEMBL13171536 | 0.66 | KDM1A (0.38) | ALDH1A1SIGMAR1KDM1ACYP3A4CYP2D6 | |
| SCHEMBL11915931 | 0.64 | SIGMAR1 (0.39) | ALDH1A1SIGMAR1 | |
| SCHEMBL237512 | 0.63 | POLB (0.59) | ALDH1A1SMN1; SMN2HSD17B10SIGMAR1KDM1A | |
| SCHEMBL23076029 | 0.63 | HRH4 (0.43) | ALDH1A1SIGMAR1DRD2DRD3SOD3 | |
| SCHEMBL104625 | 0.63 | SMN1; SMN2 (0.45) | ALDH1A1SMN1; SMN2HSD17B10SIGMAR1HTR2C | |
| SCHEMBL11216334 | 0.62 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1 | |
| SCHEMBL8875157 | 0.62 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL25326103 | 0.61 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2HSD17B10SIGMAR1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017064628-A1 | C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2017-04-20 | — | — | WO | disclosed |