Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22821050 | 1.00 | ALDH1A1 (0.51) | ALDH1A1KDM4EDRD1ACACBHRH3 | |
| SCHEMBL22821099 | 1.00 | ALDH1A1 (0.51) | ALDH1A1KDM4EDRD1ACACBHRH3 | |
| SCHEMBL20576262 | 0.95 | ALDH1A1 (0.56) | ALDH1A1KDM4EACACBHRH3CYP2A6 | |
| SCHEMBL28376456 | 0.95 | ALDH1A1 (0.56) | ALDH1A1KDM4EACACBHRH3CYP2A6 | |
| SCHEMBL924708 | 0.95 | ALDH1A1 (0.56) | ALDH1A1KDM4EACACBHRH3CYP2A6 | |
| SCHEMBL934830 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KDM4EACACBHRH3CYP2A6 | |
| SCHEMBL28376659 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KDM4EDRD1ACACBCYP2A6 | |
| SCHEMBL15382502 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EDRD1HRH3CYP2A6 | |
| SCHEMBL19166246 | 0.80 | CHEK1 (0.43) | ACACBHRH3BTKGPR119APP | |
| SCHEMBL15717433 | 0.78 | ALDH1A1 (0.53) | ALDH1A1ACACBAPPFAAHEPHX2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112110944-B | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| WO-2020253352-A1 | COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 南京谷睿生物科技有限公司 | 2020-12-24 | — | — | WO | disclosed |
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | disclosed |