Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28841070 | 0.98 | MME (0.44) | MMECYP2C19MAPK1SMN1; SMN2NPC1 | |
| SCHEMBL6523 | 0.91 | MME (0.40) | MMEMAPK1SMN1; SMN2NPC1HPGD | |
| SCHEMBL6585961 | 0.84 | CYP2C19 (0.48) | CYP2C19NPC1ADRB2ALDH1A1ITGB1 | |
| SCHEMBL29024354 | 0.84 | CYP2C19 (0.48) | CYP2C19NPC1ADRB2ALDH1A1ITGB1 | |
| SCHEMBL11373445 | 0.84 | CYP2C19 (0.48) | CYP2C19NPC1ADRB2ALDH1A1ITGB1 | |
| SCHEMBL25713293 | 0.83 | HSD11B1 (0.49) | MMECYP2C19SMN1; SMN2ALOX5APADRB2 | |
| SCHEMBL5818358 | 0.82 | AKR1C1 (0.47) | CYP2C19NPC1ADRB2ALDH1A1LMNA | |
| SCHEMBL28840825 | 0.81 | CYP4F2 (0.42) | MMEMAPK1SMN1; SMN2NPC1HPGD | |
| SCHEMBL6617274 | 0.81 | CYP2C19 (0.41) | MMECYP2C19ADRB2ALDH1A1ITGB1 | |
| SCHEMBL8283757 | 0.79 | ALDH1A1 (0.50) | CYP2C19ALDH1A1LMNAPPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |