Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.34 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.34 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6654885 | 0.99 | CYP2C19 (0.41) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| Tetrahydrofuran SCHEMBL8919134 | 0.99 | ALDH1A1 (0.43) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| Tetrahydrofuran SCHEMBL6650973 | 0.97 | ALDH1A1 (0.42) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL9048995 | 0.87 | HSPA5 (0.50) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6649438 | 0.86 | HSPA5 (0.49) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL15221102 | 0.76 | HSPA5 (0.49) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL31043275 | 0.74 | ALDH1A1 (0.47) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL9049602 | 0.73 | GAA (0.36) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL6057504 | 0.72 | CYP2C19 (0.78) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL8431550 | 0.72 | CYP2C19 (0.48) | CYP2C19CYP2C9CYP2D6CYP1A2ALDH1A1 |
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-0655950-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY. | SMITHKLINE BEECHAM PLC (GB) | 1995-06-07 | — | — | EP | claimed |
| WO-1994003271-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | claimed |