Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | PTGIR | P43119 | 3/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982704 | 0.92 | ALDH1A1 (0.33) | ALDH1A1CYP3A4TDP1SCN9ASCN5A | |
| SCHEMBL19974856 | 0.77 | KMT2A (0.40) | ALDH1A1TDP1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL19975298 | 0.72 | EPHX1 (0.43) | ALDH1A1TDP1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL19982744 | 0.71 | — | — | |
| SCHEMBL19975024 | 0.70 | KMT2A (0.36) | TDP1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL21183509 | 0.69 | KMT2A (0.34) | ALDH1A1TDP1KMT2A | |
| SCHEMBL19975218 | 0.67 | CNR2 (0.35) | CYP3A4TDP1KMT2A | |
| SCHEMBL19974699 | 0.66 | TDP1 (0.48) | TDP1KMT2A | |
| SCHEMBL19974970 | 0.66 | TDP1 (0.39) | ALDH1A1TDP1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL19974732 | 0.66 | TDP1 (0.37) | ALDH1A1TDP1SLC1A3SLC1A2SLC1A1 |
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-2018050631-A1 | ANTIVIRAL COMPOUNDS | HAPLOGEN GMBH (AT) | 2018-03-22 | — | — | WO | disclosed |