Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4D | Q6B0I6 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 4/20 | 0.38 |
| ▸ | OXTR | P30559 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703202 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10F10OXTR | |
| SCHEMBL8337162 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10MAPTRAB9A | |
| SCHEMBL4702377 | 0.75 | ALDH1A1 (0.55) | ALDH1A1F10F2KLKB1 | |
| SCHEMBL4704572 | 0.74 | GAA (0.39) | F10SMN1; SMN2F2KLKB1ELANE | |
| SCHEMBL8334904 | 0.73 | GAA (0.38) | F10SMN1; SMN2F2KLKB1ELANE | |
| SCHEMBL8336602 | 0.73 | GAA (0.38) | F10SMN1; SMN2F2KLKB1ELANE | |
| SCHEMBL4557152 | 0.73 | KCNA3 (0.43) | KDM4D | |
| SCHEMBL8334598 | 0.73 | GAA (0.40) | ALDH1A1F10SMN1; SMN2F2KLKB1 | |
| SCHEMBL4702226 | 0.73 | F10 (0.71) | F10F2KLKB1 | |
| SCHEMBL14143923 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004052851-A1 | PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LIMITED (GB) | 2004-06-24 | — | — | WO | disclosed |