Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4242626 | 0.84 | CES2 (0.43) | CES2CES1AKR1B1ALDH1A1HTT | |
| SCHEMBL5797416 | 0.77 | KMT2A (0.43) | CES2CES1AKR1B1ALDH1A1HTT | |
| SCHEMBL5798526 | 0.70 | AKR1B1 (0.48) | CES2AKR1B1ALDH1A1KMT2AMEN1 | |
| SCHEMBL30712874 | 0.69 | CES2 (0.58) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL3366577 | 0.69 | CES2 (0.58) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL1743417 | 0.68 | CES2 (0.56) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL28872295 | 0.67 | ALDH1A1 (0.55) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL1155548 | 0.67 | CES2 (0.55) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL25310527 | 0.66 | CES2 (0.46) | CES2CES1ALDH1A1HTTL3MBTL1 | |
| Bromide SCHEMBL25311190 | 0.65 | CES2 (0.45) | CES2CES1ALDH1A1HTTL3MBTL1 |
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-2006038734-A1 | PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2006-04-13 | — | — | WO | disclosed |