Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709654 | 0.81 | SLC6A3 (0.43) | — | |
| SCHEMBL9680433 | 0.80 | NPC1 (0.56) | GAAAKR1C3AKR1C1PDE4APDE4B | |
| SCHEMBL14301510 | 0.78 | FFAR1 (0.55) | GAAALDH1A1FFAR1HTR2AHTR2C | |
| SCHEMBL6998999 | 0.78 | FFAR1 (0.55) | GAAALDH1A1FFAR1HTR2AHTR2C | |
| SCHEMBL6999004 | 0.78 | FFAR1 (0.55) | GAAALDH1A1FFAR1HTR2AHTR2C | |
| SCHEMBL2884802 | 0.76 | HTR2C (0.46) | ALDH1A1HTR2AHTR2CHTR2BTP53 | |
| SCHEMBL13589988 | 0.75 | AKR1C3 (0.72) | GAAAKR1C3AKR1C1ALDH1A1FFAR1 | |
| SCHEMBL17292430 | 0.75 | AKR1C3 (0.72) | GAAAKR1C3AKR1C1ALDH1A1FFAR1 | |
| SCHEMBL14433729 | 0.75 | AKR1C3 (0.72) | GAAAKR1C3AKR1C1ALDH1A1FFAR1 | |
| SCHEMBL15488633 | 0.73 | HTR2A (0.41) | ALDH1A1HTR2AHTR2CHTR2BTP53 |
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-2012046857-A1 | 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS | 宇部興産株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |