Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7025851 | 0.92 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL14404466 | 0.85 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL702232 | 0.83 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL13647524 | 0.81 | TDP1 (0.41) | ALDH1A1L3MBTL1MAOBTSHRTDP1 | |
| SCHEMBL4059477 | 0.80 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL20892596 | 0.80 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL11782316 | 0.79 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL14539352 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL1566049 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 | |
| SCHEMBL3905573 | 0.78 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1MAOBTUBB1CYP1A2 |
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 |