Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL12892266 | 0.98 | PTGS2 (0.43) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9437115 | 0.96 | PTGS2 (0.42) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL985460 | 0.85 | APEX1 (0.43) | CYP1A2CYP2D6APEX1ALDH1A1KMT2A | |
| SCHEMBL12716522 | 0.81 | ALDH1A1 (0.47) | APEX1ALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL17153754 | 0.78 | APEX1 (0.42) | APEX1ALDH1A1KMT2ATDP1L3MBTL1 | |
| SCHEMBL10012899 | 0.78 | APEX1 (0.38) | APEX1ALDH1A1KMT2A | |
| SCHEMBL2329964 | 0.78 | ALDH1A1 (0.46) | PTGS2CYP1A2APEX1ALDH1A1KMT2A | |
| SCHEMBL11973257 | 0.78 | ALDH1A1 (0.44) | PTGS2APEX1ALDH1A1KMT2AMEN1 | |
| SCHEMBL14267049 | 0.76 | APEX1 (0.37) | APEX1ALDH1A1KMT2ATDP1L3MBTL1 | |
| SCHEMBL5038424 | 0.75 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-115989222-B | Zinc salt derivatives of 2, 5-dimercapto-1, 3, 4-thiadiazole ('DMTD') | 路博润公司 | 2025-01-24 | — | — | CN | disclosed |