Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.52 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11627789 | 0.86 | CSNK2A1 (0.54) | AOC3KMT2ACSNK2A1MAPT | |
| SCHEMBL10391003 | 0.86 | ALDH1A1 (0.58) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL3976944 | 0.85 | NR1H4 (0.61) | ALDH1A1NPSR1HSD17B10CYP1A2RAB9A | |
| SCHEMBL875279 | 0.84 | AOC3 (0.55) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL843452 | 0.84 | AOC3 (0.55) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL14148255 | 0.83 | CSNK2A1 (0.48) | ALDH1A1AOC3POLBKMT2ACSNK2A1 | |
| SCHEMBL2545099 | 0.83 | ALDH1A1 (0.61) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL17653723 | 0.82 | SLC7A5 (0.55) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL30489996 | 0.82 | SLC7A5 (0.55) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 | |
| SCHEMBL15006319 | 0.82 | NPSR1 (0.54) | ALDH1A1AOC3NPSR1HSD17B10CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104936954-A | compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2015-09-23 | — | — | CN | disclosed |
| EP-1450796-B1 | BENZOTHIAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-04-09 | — | — | EP | disclosed |
| US-6596718-B1 | A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |