Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HTR5A | P47898 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | CCR4 | P51679 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21036187 | 1.00 | CHEK2 (0.40) | CHEK2GHSRHTR1AHTR7HTR5A | |
| SCHEMBL21035094 | 1.00 | CHEK2 (0.40) | CHEK2GHSRHTR1AHTR7HTR5A | |
| Trifluoroacetic Acid SCHEMBL21002039 | 0.95 | MMP1 (0.37) | CHEK2GHSRHTR1AHTR7HTR5A | |
| Trifluoroacetic Acid SCHEMBL21002157 | 0.95 | MMP1 (0.37) | CHEK2GHSRHTR1AHTR7HTR5A | |
| SCHEMBL21034969 | 0.90 | ADRB2 (0.40) | MMP1MMP9MMP13MMP3MMP7 | |
| SCHEMBL21035344 | 0.90 | GHSR (0.46) | CHEK2GHSRHTR1AHTR7HTR5A | |
| SCHEMBL21035071 | 0.90 | GHSR (0.46) | CHEK2GHSRHTR1AHTR7HTR5A | |
| SCHEMBL21035331 | 0.90 | GHSR (0.46) | CHEK2GHSRHTR1AHTR7HTR5A | |
| SCHEMBL21035133 | 0.86 | HTR1A (0.41) | GHSRHTR1AHTR7HTR5AHTR1D | |
| SCHEMBL21035004 | 0.86 | HTR1A (0.41) | GHSRHTR1AHTR7HTR5AHTR1D |
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 |