Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 3/20 | 0.53 |
| ▸ | MMP3 | P08254 | 3/20 | 0.53 |
| ▸ | MMP7 | P09237 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 7/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21035010 | 0.89 | MMP1 (0.47) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21035002 | 0.89 | MMP1 (0.47) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21034940 | 0.88 | ALDH1A1 (0.55) | MMP1MMP3MMP7MMP13HCRTR1 | |
| SCHEMBL21034938 | 0.88 | ALDH1A1 (0.55) | MMP1MMP3MMP7MMP13HCRTR1 | |
| SCHEMBL21034979 | 0.85 | MMP1 (0.45) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21035402 | 0.85 | MMP1 (0.43) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21035617 | 0.85 | MMP2 (0.60) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21035318 | 0.85 | MMP1 (0.43) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21034981 | 0.85 | MMP1 (0.45) | CASP3MMP1MMP3MMP7MMP13 | |
| SCHEMBL21034999 | 0.85 | ITGB1 (0.47) | CASP3MMP1MMP3MMP7MMP13 |
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 |