Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4706925 | 0.87 | NR1H2 (0.53) | ALDH1A1HSD17B10NR1H2NR1H3TACR1 | |
| SCHEMBL4704760 | 0.80 | CHRM1 (0.48) | ALDH1A1HSD17B10KCNA5CHRM1MAPT | |
| SCHEMBL21987994 | 0.79 | DPP4 (0.49) | ALDH1A1KDM4ENR1H2NR1H3TACR1 | |
| SCHEMBL6231022 | 0.75 | TACR1 (0.47) | ALDH1A1KDM4EHSD17B10KCNA5TACR1 | |
| SCHEMBL4704334 | 0.75 | MEN1 (0.44) | ALDH1A1NR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL4705370 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10KCNA5CYP3A4 | |
| SCHEMBL8337162 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10TACR1CYP3A4 | |
| SCHEMBL13920469 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10TACR1CYP3A4 | |
| SCHEMBL4704282 | 0.72 | CHRM1 (0.44) | ALDH1A1KDM4EHSD17B10TACR1CHRM1 | |
| SCHEMBL13374225 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10KCNA5CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567489-B1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LTD (GB) | 2008-07-23 | — | — | EP | disclosed |