Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CCR4 | P51679 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034938 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HTTKDM4EHSD17B10HCRTR1 | |
| SCHEMBL21035533 | 0.88 | CASP3 (0.56) | ALDH1A1HCRTR1HCRTR2MMP1MMP3 | |
| SCHEMBL21035666 | 0.85 | ITGB1 (0.49) | ALDH1A1HTTKDM4EHSD17B10HCRTR1 | |
| SCHEMBL2977236 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HTTKDM4EHSD17B10HCRTR1 | |
| SCHEMBL2977241 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HTTKDM4EHSD17B10HCRTR1 | |
| SCHEMBL21035534 | 0.84 | GHSR (0.55) | ALDH1A1LMNATSHRNPSR1MEN1 | |
| SCHEMBL21035523 | 0.83 | AKR1C3 (0.43) | KDM4EHSD17B10HCRTR1HCRTR2MMP1 | |
| SCHEMBL21035001 | 0.82 | ITGB1 (0.47) | HTTKDM4EHSD17B10HCRTR1HCRTR2 | |
| SCHEMBL21035399 | 0.81 | HTR1A (0.44) | KDM4EHSD17B10HCRTR1HCRTR2MMP1 | |
| SCHEMBL21035314 | 0.81 | HTR1A (0.44) | KDM4EHSD17B10HCRTR1HCRTR2MMP1 |
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 |