Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | ATF1 | P18846 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12403827 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KMT2APOLBCYP1A1CYP1B1 | |
| SCHEMBL6325751 | 0.77 | GAA (0.56) | ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL21965833 | 0.72 | HDAC3 (0.46) | ALDH1A1GAAPTGS1MAPT | |
| SCHEMBL3188883 | 0.72 | ALDH1A1 (0.65) | ALDH1A1KMT2APOLBCYP1A1CYP1B1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL1547868 | 0.70 | ALDH1A1 (0.61) | ALDH1A1KMT2APOLBCYP1A1CYP1B1 | |
| SCHEMBL144943 | 0.70 | CYP1A2 (0.58) | ALDH1A1KMT2APOLBSMN1; SMN2NPC1 | |
| SCHEMBL21790800 | 0.70 | KMT2A (0.43) | ALDH1A1KMT2APOLBSMN1; SMN2NPC1 | |
| SCHEMBL15680119 | 0.70 | KMT2A (0.47) | ALDH1A1KMT2APOLBSMN1; SMN2NPC1 | |
| SCHEMBL10988446 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KMT2APOLBCYP1A1CYP1B1 |
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-117945956-A | Synthesis method of N-trifluoromethyl sulfonamide compound | 南京理工大学 | 2024-04-30 | — | — | CN | disclosed |