Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL612301 | 0.85 | — | — | |
| Formic Acid SCHEMBL27266785 | 0.68 | ERN1 (0.44) | TDP1CES2CES1ALDH1A1 | |
| SCHEMBL12422 | 0.67 | — | — | |
| SCHEMBL23006 | 0.64 | — | — | |
| Formic Acid SCHEMBL27757675 | 0.63 | ALDH1A1 (0.50) | TDP1ALDH1A1MAPK1CYP2A6 | |
| Formic Acid SCHEMBL27583412 | 0.63 | CYP2A6 (0.57) | CES2CES1ALDH1A1LMNAGSK3B | |
| Formic Acid SCHEMBL29148087 | 0.62 | POLB (0.38) | NPC1RAB9AALDH1A1LMNAGSK3B | |
| SCHEMBL2679589 | 0.62 | — | — | |
| Formic Acid SCHEMBL30894409 | 0.61 | HTT (0.34) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL40746 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117327047-A | Amide ligand and copper-catalyzed synthesis method of aminothiophene compound | 瑞博(杭州)医药科技有限公司 | 2024-01-02 | — | — | CN | disclosed |