Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OXTR | P30559 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4702377 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C19F10F2 | |
| SCHEMBL8337166 | 0.86 | KDM4D (0.42) | ALDH1A1CYP2C9KDM4EHSD17B10F10 | |
| SCHEMBL4704111 | 0.82 | ALDH1A1 (0.42) | ALDH1A1F10MAPTNAMPT | |
| SCHEMBL4702318 | 0.78 | F10 (0.41) | ALDH1A1F10F2KLKB1 | |
| SCHEMBL4702226 | 0.78 | F10 (0.71) | F10F2KLKB1 | |
| SCHEMBL14143923 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP3A4CYP2C19KDM4E | |
| SCHEMBL4706069 | 0.75 | KDM1A (0.42) | F10F2KLKB1 | |
| SCHEMBL4495030 | 0.74 | F10 (0.57) | F10F2KLKB1 | |
| SCHEMBL4706167 | 0.73 | KDM1A (0.51) | CYP3A4CYP2C19F10 | |
| SCHEMBL6231022 | 0.73 | TACR1 (0.47) | ALDH1A1CYP2C9CYP3A4CYP2C19KDM4E |
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 |