Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21436705 | 0.73 | ALDH1A1 (0.44) | ALDH1A1GAATSHRSMN1; SMN2NPC1 | |
| SCHEMBL21453441 | 0.73 | MAOB (0.34) | ALDH1A1GAAMAOBMAOACYP1A2 | |
| SCHEMBL15275276 | 0.67 | KMT2A (0.40) | ALDH1A1GAAMAOBCYP1A2CYP2C9 | |
| SCHEMBL9297973 | 0.65 | MAOA (0.54) | ALDH1A1GAAMAOBMAOACYP3A4 | |
| SCHEMBL12369413 | 0.65 | MAOA (0.54) | ALDH1A1GAAMAOBMAOALTA4H | |
| Diphenylether SCHEMBL19206965 | 0.65 | LTA4H (0.71) | ALDH1A1MAOBMAOALTA4HTSHR | |
| Diphenylether SCHEMBL19206955 | 0.65 | ALDH1A1 (0.67) | ALDH1A1GAAMAOBMAOALTA4H | |
| SCHEMBL5697485 | 0.64 | LTA4H (0.46) | MAOALTA4HTSHRSMN1; SMN2L3MBTL1 | |
| SCHEMBL5028191 | 0.64 | LTA4H (0.52) | ALDH1A1GAAMAOBMAOACYP3A4 | |
| SCHEMBL2968813 | 0.64 | CYP3A4 (0.62) | ALDH1A1GAACYP1A2CYP3A4CYP2C9 |
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-2019193159-A1 | BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS | Universität Wien (AT) | 2019-10-10 | — | — | WO | disclosed |