Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29149685 | 1.00 | CTSK (0.55) | CTSKKMT2AMAOBMAOABCHE | |
| SCHEMBL29149686 | 0.92 | CTSK (0.64) | CTSKKMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL3379460 | 0.84 | CTSK (0.55) | CTSKKMT2AACHEALDH1A1CYP3A4 | |
| SCHEMBL28585286 | 0.84 | CTSK (0.55) | CTSKKMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL29169692 | 0.84 | CTSK (0.58) | CTSKKMT2ABCHEACHEALDH1A1 | |
| SCHEMBL9620558 | 0.84 | CTSK (0.58) | CTSKKMT2ABCHEACHEALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27733594 | 0.83 | CTSK (0.54) | CTSKKMT2ABCHEACHEALDH1A1 | |
| SCHEMBL11038225 | 0.79 | CTSK (0.75) | CTSKKMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL28880954 | 0.78 | ALDH1A1 (0.54) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10899877 | 0.76 | AHR (0.48) | MAOBALDH1A1CYP3A4 |
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-116969868-A | Synthesis method of allyl sulfonyl compound | 南通大学 | 2023-10-31 | — | — | CN | disclosed |