Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.35 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL8920441 | 0.99 | CYP2C19 (0.42) | ALDH1A1GAAXBP1MAPK1HTT | |
| Tetrahydrofuran SCHEMBL6650973 | 0.99 | ALDH1A1 (0.42) | ALDH1A1GAAXBP1MAPK1HTT | |
| Hydrochloric Acid SCHEMBL6654885 | 0.97 | CYP2C19 (0.41) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL9048995 | 0.86 | HSPA5 (0.50) | ALDH1A1GAANPSR1CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL6649438 | 0.85 | HSPA5 (0.49) | ALDH1A1GAANPSR1CYP2C19CYP2C9 | |
| SCHEMBL15221102 | 0.77 | HSPA5 (0.49) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL31043275 | 0.75 | ALDH1A1 (0.47) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL8431550 | 0.73 | CYP2C19 (0.48) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL3701361 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL6653608 | 0.73 | CYP2C19 (0.51) | ALDH1A1GAAXBP1MAPK1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5616750-A | Compounds and process | SMITHKLINE BEECHAM PLC (GB) | 1997-04-01 | — | — | US | claimed |
| EP-0741731-A1 | PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST | SMITHKLINE BEECHAM PLC (GB) | 1996-11-13 | — | — | EP | claimed |
| WO-1995021172-A1 | PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST | SMITHKLINE BEECHAM P.L.C. (GB) | 1995-08-10 | — | — | WO | claimed |