Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22302983 | 0.81 | DRD2 (0.61) | TP53MAPTDRD2DRD3ADRA1A | |
| SCHEMBL22302318 | 0.81 | DRD2 (0.61) | TP53MAPTDRD2DRD3ADRA1A | |
| SCHEMBL25106918 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1HPGDGAA | |
| SCHEMBL22302988 | 0.80 | DRD2 (0.60) | ALDH1A1KMT2AMEN1HPGDGAA | |
| SCHEMBL23331044 | 0.80 | DRD2 (0.57) | TP53MAPTDRD2DRD3ADRA1A | |
| SCHEMBL22302324 | 0.79 | MEN1 (0.43) | ALDH1A1KMT2AMEN1HPGDGAA | |
| SCHEMBL23330974 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1HPGDGAA | |
| SCHEMBL24689924 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1HPGDGAA | |
| SCHEMBL22302853 | 0.79 | DRD2 (0.52) | KMT2ATP53MAPTDRD2DRD3 | |
| SCHEMBL22302846 | 0.78 | MAPT (0.52) | ALDH1A1KMT2AMEN1GAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020156312-A1 | POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2020-08-06 | — | — | WO | disclosed |