Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7260996 | 0.87 | CA1 (0.34) | TP53MAPTAOC3CYP24A1PKM | |
| SCHEMBL5159909 | 0.86 | ALDH1A1 (0.38) | TP53MAPTPKML3MBTL1ALDH1A1 | |
| SCHEMBL5159896 | 0.86 | ALDH1A1 (0.38) | TP53MAPTPKML3MBTL1ALDH1A1 | |
| SCHEMBL5159902 | 0.86 | ALDH1A1 (0.38) | TP53MAPTPKML3MBTL1ALDH1A1 | |
| SCHEMBL7265071 | 0.86 | FFAR1 (0.42) | TP53MAPTPOLBALDH1A1BCHE | |
| SCHEMBL5157648 | 0.84 | AOC3 (0.41) | AOC3CHRM2CHRM1CHRM3POLB | |
| SCHEMBL7266195 | 0.80 | UTS2R (0.37) | TP53MAPTL3MBTL1ALDH1A1BCHE | |
| SCHEMBL2537512 | 0.79 | CHRM2 (0.52) | TP53MAPTSTAT1AOC3CHRM2 | |
| SCHEMBL2323676 | 0.76 | TP53 (0.43) | TP53MAPTSTAT1CHRM2CHRM1 | |
| SCHEMBL2363585 | 0.76 | TP53 (0.43) | TP53MAPTSTAT1CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642395-B1 | Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing | MITSUBISHI RAYON CO., LTD. (JP) | 2003-11-04 | — | — | US | disclosed |
| EP-1236714-A1 | ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE | Mitsubishi Rayon Co., Ltd. (JP) | 2002-09-04 | — | — | EP | disclosed |