Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10364078 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAASRCERN1 | |
| SCHEMBL31267103 | 0.79 | CYP2A6 (0.48) | ALDH1A1KDM4EGAACYP2A6TSHR | |
| SCHEMBL7671562 | 0.79 | CYP2A6 (0.48) | ALDH1A1KDM4EGAACYP2A6TSHR | |
| SCHEMBL22754409 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAACYP2A6TSHR | |
| SCHEMBL29012716 | 0.79 | CYP2A6 (0.48) | ALDH1A1KDM4EGAACYP2A6TSHR | |
| SCHEMBL29956171 | 0.78 | TYR (0.43) | ALDH1A1KDM4EGAAERN1TSHR | |
| SCHEMBL3208498 | 0.78 | ERN1 (0.47) | ALDH1A1KDM4EGAAERN1CYP2A6 | |
| SCHEMBL6272661 | 0.78 | TDP1 (0.55) | ALDH1A1KDM4EGAAERN1LMNA | |
| SCHEMBL10111170 | 0.78 | ALDH1A1 (0.37) | ALDH1A1KDM4EGAACYP2A6TSHR | |
| SCHEMBL4966945 | 0.76 | SRC (0.42) | ALDH1A1KDM4EGAASRCERN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004239-B | Green synthesis method and application of dicoumarol inner salt bioactive skeleton | 青岛农业大学 | 2022-08-12 | — | — | CN | claimed |
| CN-114746069-A | Three-step multi-tone hair dyeing method | 汉高股份有限及两合公司 | 2022-07-12 | — | — | CN | claimed |
| EP-3237396-B1 | HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS | GENFIT (FR) | 2019-07-03 | — | — | EP | disclosed |
| EP-3237396-A1 | HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS | Genfit (FR) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102633-A1 | HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS | GENFIT (FR) | 2016-06-30 | — | — | WO | disclosed |