Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL1634757 | 0.89 | ALDH1A1 (0.62) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL29930250 | 0.89 | ALDH1A1 (0.62) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL21805910 | 0.88 | ALDH1A1 (0.56) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL17699653 | 0.80 | ALDH1A1 (0.49) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL31195523 | 0.80 | CRBN (0.69) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL15273560 | 0.79 | DDB1 (0.65) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL18367729 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL15025094 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL20502398 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ALOX5MGLLHSD11B1MEN1 | |
| SCHEMBL9564052 | 0.78 | L3MBTL1 (0.62) | ALDH1A1ALOX5MGLLHSD11B1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3224245-A1 | NECROSIS INHIBITORS | National Institute Of Biological Sciences, Beijing (CN) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016101887-A1 | NECROSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2016-06-30 | — | — | WO | disclosed |