Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10616279 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10620468 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10616695 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10618914 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10618992 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10616193 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP2C19GSK3BKMT2AKDM4E | |
| SCHEMBL10753493 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10618818 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL10618915 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B | |
| SCHEMBL10621011 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2D6CYP2C19GSK3B |
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-0135367-B1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1988-03-16 | — | — | EP | disclosed |
| US-4659718-A | VASODILATION | THE BOOTS COMPANY PLC (GB) | 1987-04-21 | — | — | US | disclosed |
| EP-0135367-A1 | Therapeutic agents | The Boots Company PLC (GB) | 1985-03-27 | — | — | EP | disclosed |