Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | PANK3 | Q9H999 | 4/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | GRK6 | P43250 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2737290 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL19574036 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL22538435 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL20447636 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL20447635 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL15486717 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL29872319 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL22481395 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL16311933 | 0.78 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 | |
| SCHEMBL8575277 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1CYP19A1CYP2A6 |
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-2888248-B1 | SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2016-10-26 | — | — | EP | disclosed |