Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL3755837 | 0.82 | ALDH1A1 (0.56) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL10488238 | 0.80 | ALDH1A1 (0.65) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL3743499 | 0.79 | ALDH1A1 (0.52) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL30194974 | 0.79 | ALDH1A1 (0.52) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL3805142 | 0.78 | ALDH1A1 (0.50) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL3749542 | 0.78 | ALDH1A1 (0.50) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL3743862 | 0.78 | ALDH1A1 (0.50) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL16067571 | 0.76 | KDM4E (0.64) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL13080208 | 0.75 | ALDH1A1 (0.47) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL3756046 | 0.75 | ALDH1A1 (0.47) | MCL1ALDH1A1KDM4EMAPK1SMN1; SMN2 |
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-2203161-B1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIV INDIANA RES & TECH CORP (US) | 2018-05-09 | — | — | EP | disclosed |