Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.65 |
| ▸ | HTT | P42858 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 6/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9620880 | 0.78 | ALDH1A1 (0.79) | ALDH1A1HTTGAAMAPTNPC1 | |
| SCHEMBL29575430 | 0.77 | RAB9A (0.62) | ALDH1A1HTTGAALMNAMAPT | |
| SCHEMBL316363 | 0.77 | RAB9A (0.62) | ALDH1A1HTTGAALMNAMAPT | |
| SCHEMBL10624822 | 0.73 | NPC1 (0.86) | ALDH1A1HTTGAALMNAMAPT | |
| SCHEMBL5552168 | 0.72 | ALDH1A1 (0.66) | ALDH1A1ALOX12HTTGAALMNA | |
| SCHEMBL28471116 | 0.72 | NPC1 (1.00) | ALDH1A1HTTGAALMNAMAPT | |
| SCHEMBL5429910 | 0.72 | RAB9A (0.55) | ALDH1A1HTTGAALMNAMAPT | |
| SCHEMBL11548283 | 0.72 | KMT2A (0.63) | ALDH1A1ALOX12GAALMNAMAPT | |
| SCHEMBL4740297 | 0.72 | ALDH1A1 (0.55) | ALDH1A1ALOX12HTTGAALMNA | |
| SCHEMBL17415883 | 0.71 | MAPT (0.65) | ALDH1A1ALOX12HTTGAALMNA |
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-2008077170-A2 | BENZOTHIOAMIDES, AND USE THEREOF FOR RELAXING SMOOTH MUSCLES | Universität Wien (AT) | 2008-07-03 | — | — | WO | disclosed |