Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.39 |
| ▸ | GCGR | P47871 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16294953 | 0.87 | NISCH (0.45) | ALDH1A1MAPK1SMN1; SMN2TSHRMAPT | |
| SCHEMBL2920544 | 0.87 | NISCH (0.45) | ALDH1A1MAPK1SMN1; SMN2TSHRMAPT | |
| SCHEMBL29410298 | 0.85 | ALDH1A1 (0.74) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4825288 | 0.85 | ALDH1A1 (0.74) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27912462 | 0.83 | GABRG2 (0.46) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15705955 | 0.83 | ALDH1A1 (0.79) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL27833170 | 0.83 | ALDH1A1 (0.70) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27908015 | 0.83 | ALDH1A1 (0.70) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19125933 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7522172 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPK1NPC1RAB9ASMN1; 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-105121595-A | Light emitting material and organic light emitting element using same | NAT UNIV CORP KYUSHU UNIV | 2015-12-02 | — | — | CN | disclosed |