Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | THRA | P10827 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL11449778 | 0.81 | CYP1A2 (0.43) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL17880793 | 0.79 | CSNK2A1 (0.44) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL11981073 | 0.79 | GABRA1 (0.42) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL12533383 | 0.79 | PTGS1 (0.38) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| SCHEMBL12828153 | 0.79 | ALDH1A1 (0.35) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL15617289 | 0.78 | PNMT (0.40) | LMNASLC6A2THRATHRBHTT | |
| SCHEMBL18844142 | 0.78 | SKP2 (0.43) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL14924084 | 0.76 | GSR (0.52) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL21100838 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4ECARM1LMNA | |
| SCHEMBL19121640 | 0.76 | KDM4E (0.39) | ALDH1A1HPGDKDM4ECARM1LMNA |
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-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |