Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.64 |
| ▸ | BACE1 | P56817 | 3/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 6/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28188470 | 0.86 | MAOA (0.60) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL1347334 | 0.85 | MAOB (0.76) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL29464145 | 0.85 | MAOB (0.76) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL865238 | 0.84 | MAOB (0.67) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL23223734 | 0.81 | RAB9A (0.69) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL11614936 | 0.81 | RAB9A (0.69) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL12578006 | 0.81 | MAOA (0.48) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL15774625 | 0.80 | RAB9A (0.63) | GSK3BBACE1RAB9AMAOBMAOA | |
| Acetaldehyde SCHEMBL28912782 | 0.80 | MAOB (0.61) | GSK3BBACE1RAB9AMAOBMAOA | |
| SCHEMBL348599 | 0.79 | RAB9A (0.58) | GSK3BBACE1RAB9AMAOBMAOA |
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 |