Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 9/20 | 0.39 |
| ▸ | CCR4 | P51679 | 3/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21034936 | 1.00 | ADRB2 (0.43) | ADRB2PRKAA2MMP1MMP3MMP7 | |
| SCHEMBL21035481 | 1.00 | ADRB2 (0.43) | ADRB2PRKAA2MMP1MMP3MMP7 | |
| Trifluoroacetic Acid SCHEMBL21002022 | 0.97 | ADRB2 (0.41) | ADRB2PRKAA2MMP1MMP3MMP7 | |
| Trifluoroacetic Acid SCHEMBL21002023 | 0.97 | ADRB2 (0.41) | ADRB2PRKAA2MMP1MMP3MMP7 | |
| SCHEMBL21002084 | 0.93 | CCR4 (0.40) | ADRB2MMP1GHSRCCR4ADAM17 | |
| SCHEMBL21002086 | 0.93 | CCR4 (0.40) | ADRB2MMP1GHSRCCR4ADAM17 | |
| SCHEMBL21002090 | 0.89 | MMP1 (0.37) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL21034969 | 0.89 | ADRB2 (0.40) | ADRB2PRKAA2MMP1MMP3MMP7 | |
| SCHEMBL21035071 | 0.89 | GHSR (0.46) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL21035344 | 0.89 | GHSR (0.46) | MMP1MMP3MMP7MMP9MMP13 |
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 |