Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 11/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30013160 | 1.00 | PTGS1 (0.42) | PTGS1PTGS2SLC6A4GPR119KCNH2 | |
| SCHEMBL25327985 | 0.90 | GPR119 (0.38) | PTGS1PTGS2SLC6A4GPR119KCNH2 | |
| SCHEMBL29277472 | 0.84 | ALDH1A1 (0.40) | NAAA | |
| SCHEMBL27246487 | 0.78 | IDO1 (0.51) | SLC6A4KCNH2NAAA | |
| SCHEMBL25325372 | 0.78 | CYP2D6 (0.35) | GPR119KCNH2CYP3A4 | |
| SCHEMBL25944438 | 0.77 | PTGS2 (0.46) | PTGS2SLC6A4KCNH2 | |
| SCHEMBL25738420 | 0.76 | GPR119 (0.46) | PTGS1PTGS2SLC6A4GPR119KCNH2 | |
| SCHEMBL30945246 | 0.76 | SLC6A4 (0.45) | SLC6A4 | |
| SCHEMBL19409557 | 0.75 | IDO1 (0.40) | SLC6A4GPR119KCNH2NAAA | |
| SCHEMBL31532369 | 0.75 | SLC6A4 (0.61) | SLC6A4KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117295726-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2023-12-26 | — | — | CN | disclosed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |