Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL31533148 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TUBB1MAOBL3MBTL1ERN1 | |
| SCHEMBL366446 | 0.75 | ALDH1A1 (0.55) | ALDH1A1TUBB1MAOBMEN1KMT2A | |
| SCHEMBL5885604 | 0.75 | ALDH1A1 (0.68) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 | |
| SCHEMBL31591485 | 0.74 | MAOB (0.57) | ALDH1A1TUBB1MAOB | |
| SCHEMBL702232 | 0.74 | ALDH1A1 (0.71) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 | |
| SCHEMBL435043 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TUBB1MAOBERN1MAPT | |
| SCHEMBL2651293 | 0.74 | ALDH1A1 (0.65) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 | |
| SCHEMBL1566049 | 0.73 | ALDH1A1 (0.69) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 | |
| SCHEMBL14539352 | 0.73 | ALDH1A1 (0.69) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 | |
| SCHEMBL3905573 | 0.73 | ALDH1A1 (0.69) | ALDH1A1TUBB1MAOBL3MBTL1TRIM24 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087125-A1 | AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |