Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.57 |
| ▸ | PARP15 | Q460N3 | 7/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL15474858 | 0.97 | PARP10 (0.62) | ALDH1A1PARP10PARP15HPGDMAOB | |
| SCHEMBL15968477 | 0.96 | ALDH1A1 (0.61) | ALDH1A1PARP10PARP15HPGDMAOB | |
| SCHEMBL1300126 | 0.84 | HPGD (0.65) | ALDH1A1PARP10PARP15HPGDMAOB | |
| SCHEMBL15474891 | 0.82 | MAPT (0.56) | ALDH1A1HPGDCYP1A2TDP1 | |
| SCHEMBL11402283 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HPGDMAOBL3MBTL1TUBB1 | |
| SCHEMBL702232 | 0.79 | ALDH1A1 (0.71) | ALDH1A1MAOBL3MBTL1TUBB1CYP1A1 | |
| SCHEMBL12462495 | 0.78 | PARP10 (0.51) | PARP10PARP15HPGDMAOBPARP2 | |
| SCHEMBL13880132 | 0.78 | PARP10 (0.55) | PARP10PARP15MAOBPARP2MAOA | |
| SCHEMBL19335449 | 0.78 | PARP10 (0.55) | PARP10PARP15MAOBPARP2MAOA | |
| SCHEMBL18594836 | 0.78 | PARP10 (0.55) | PARP10PARP15MAOBPARP2MAOA |
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 |