Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5159909 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C19PKMDHODH | |
| SCHEMBL5159902 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C19PKMDHODH | |
| SCHEMBL7266195 | 0.88 | UTS2R (0.37) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2HTT | |
| SCHEMBL7260996 | 0.86 | CA1 (0.34) | CYP2C19PKMDHODHMAPTTP53 | |
| SCHEMBL7260356 | 0.86 | TP53 (0.41) | ALDH1A1PKMMAPTTP53L3MBTL1 | |
| SCHEMBL7265071 | 0.85 | FFAR1 (0.42) | ALDH1A1HTTMAPTLMNATP53 | |
| SCHEMBL5119802 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP3A4PKMDHODHVDR | |
| SCHEMBL7261000 | 0.83 | MEN1 (0.38) | ALDH1A1CYP3A4CYP2C19DHODHVDR | |
| SCHEMBL16397480 | 0.79 | ALDH1A1 (0.40) | ALDH1A1PKMDHODHVDRSTAT3 | |
| SCHEMBL4432214 | 0.78 | CA12 (0.46) | ALDH1A1CYP3A4PKMDHODHVDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1236714-B1 | ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE | MITSUBISHI RAYON CO (JP) | 2007-01-17 | — | — | EP | disclosed |
| 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 |