Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29136541 | 0.78 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL4182791 | 0.78 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL29136540 | 0.77 | ALDH1A1 (0.73) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL1704772 | 0.76 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL3292760 | 0.75 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL29669441 | 0.73 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL3292757 | 0.73 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL156656 | 0.73 | MAOB (0.38) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL96291 | 0.73 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL11782313 | 0.73 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |