Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19975523 | 0.81 | TDP1 (0.37) | ALDH1A1CYP3A4TDP1EPHX1CYP2C19 | |
| SCHEMBL19982736 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TDP1EPHX1CTSL | |
| SCHEMBL19974896 | 0.76 | TDP1 (0.40) | ALDH1A1CYP3A4TDP1EPHX1GRM4 | |
| SCHEMBL19974928 | 0.74 | TDP1 (0.36) | ALDH1A1CYP3A4TDP1EPHX1GRM4 | |
| SCHEMBL19974687 | 0.72 | TDP1 (0.42) | ALDH1A1CYP3A4TDP1EPHX1GRM4 | |
| SCHEMBL19975044 | 0.72 | TSHR (0.38) | TDP1EPHX1 | |
| SCHEMBL19975040 | 0.71 | TDP1 (0.36) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL21176165 | 0.70 | EPHX1 (0.51) | EPHX1CTSLCTSBCTSK | |
| SCHEMBL19974767 | 0.69 | TDP1 (0.39) | ALDH1A1CYP3A4TDP1EPHX1GRM4 | |
| SCHEMBL19975295 | 0.69 | POLB (0.46) | ALDH1A1EPHX1CTSKCYP2C19 |
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 |