Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR5A | P47898 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21035131 | 1.00 | ITGB1 (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035667 | 0.99 | ITGB1 (0.39) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035316 | 0.92 | MMP9 (0.36) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035404 | 0.92 | MMP9 (0.36) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035112 | 0.92 | ITGB1 (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035531 | 0.92 | ITGB1 (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21034998 | 0.90 | GHSR (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21036257 | 0.90 | GHSR (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035515 | 0.90 | GHSR (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21036286 | 0.90 | GHSR (0.38) | ITGB1ITGA4HTR1AHTR7HTR5A |
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-2019104011-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2019-05-31 | — | — | WO | disclosed |