Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24873950 | 0.85 | ALDH1A1 (0.31) | ALDH1A1HPGD | |
| SCHEMBL24896621 | 0.84 | KDM1A (0.41) | L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL23692658 | 0.81 | — | — | |
| SCHEMBL23692950 | 0.80 | ALOX5AP (0.33) | ALDH1A1 | |
| SCHEMBL23693410 | 0.79 | — | — | |
| SCHEMBL23693409 | 0.79 | — | — | |
| SCHEMBL23692791 | 0.78 | — | — | |
| SCHEMBL19299765 | 0.77 | — | — | |
| SCHEMBL23692949 | 0.77 | KDM4E (0.35) | TSHR | |
| SCHEMBL24873942 | 0.77 | — | — |
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-2021148420-A1 | NOVEL HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-07-29 | — | — | WO | disclosed |