Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | PPOX | P50336 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638961 | 0.91 | MAPT (0.43) | ALDH1A1NPSR1HPGDMAPTTDP1 | |
| SCHEMBL28647684 | 0.81 | MAPT (0.41) | ALDH1A1NPSR1MAPTTDP1L3MBTL1 | |
| SCHEMBL28638964 | 0.81 | ALDH1A1 (0.47) | ALDH1A1NPSR1HPGDMAPTTDP1 | |
| SCHEMBL11440939 | 0.71 | CYP1A2 (0.58) | ALDH1A1MAPTTDP1L3MBTL1MEN1 | |
| SCHEMBL28645723 | 0.67 | CDK2 (0.49) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL11643661 | 0.67 | DTYMK (0.57) | ALDH1A1NPSR1HPGDMAPTTDP1 | |
| SCHEMBL700691 | 0.67 | NPC1 (0.56) | ALDH1A1NPSR1HPGDMAPTTDP1 | |
| SCHEMBL17923571 | 0.66 | XDH (0.40) | ALDH1A1HPGDMAPTTDP1L3MBTL1 | |
| SCHEMBL7988628 | 0.64 | DHODH (0.46) | ALDH1A1NPSR1HPGDMAPTTDP1 | |
| SCHEMBL30090126 | 0.64 | BCHE (0.58) | ALDH1A1HPGDTDP1MAPK1SMN1; SMN2 |
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-112778137-A | End-position nitrated 3, 4-perylene dicarboxylic ester compound and synthetic method and application thereof | 山东师范大学 | 2021-05-11 | — | — | CN | disclosed |