Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3180680 | 0.84 | CXCR4 (0.45) | CXCR4NPC1RAB9AHPGDCYP1A2 | |
| SCHEMBL358223 | 0.81 | ACLY (0.52) | NPC1RAB9AHPGDCYP1A2CYP3A4 | |
| SCHEMBL2578117 | 0.80 | ALDH1A1 (0.55) | NPC1RAB9AHPGDCYP3A4CYP2C19 | |
| SCHEMBL6775866 | 0.79 | CYP1A2 (0.49) | NPC1RAB9AHPGDCYP1A2CYP3A4 | |
| SCHEMBL29836060 | 0.79 | MAPK1 (0.52) | NPC1RAB9AHPGDCYP1A2CYP3A4 | |
| SCHEMBL535457 | 0.79 | MAPK1 (0.52) | NPC1RAB9AHPGDCYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL28325235 | 0.77 | MAPK1 (0.50) | NPC1RAB9AHPGDCYP1A2CYP3A4 | |
| SCHEMBL2796146 | 0.77 | MAPT (0.66) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL29580293 | 0.77 | MAPT (0.66) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL67536 | 0.77 | MAPK1 (0.53) | NPC1RAB9AHPGDCYP1A2CYP3A4 |
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-116891484-A | Condensed ring compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-10-17 | — | — | CN | disclosed |