Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR5A | P47898 | 2/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.44 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034994 | 1.00 | ITGB1 (0.47) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21034999 | 1.00 | ITGB1 (0.47) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035678 | 0.97 | ITGB1 (0.45) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035009 | 0.97 | ITGB1 (0.45) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035398 | 0.92 | HTR1A (0.42) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035317 | 0.92 | HTR1A (0.42) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035666 | 0.90 | ITGB1 (0.49) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21034997 | 0.87 | ITGB1 (0.47) | ITGB1ITGA4HTR1AHTR7HTR5A | |
| SCHEMBL21035002 | 0.87 | MMP1 (0.47) | HCRTR1HCRTR2MMP1ADAM17CASP3 | |
| SCHEMBL21035010 | 0.87 | MMP1 (0.47) | HCRTR1HCRTR2MMP1ADAM17CASP3 |
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 |