Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PTGES | O14684 | 2/20 | 0.56 |
| ▸ | LDHA | P00338 | 2/20 | 0.53 |
| ▸ | CCR2 | P41597 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
| ▸ | ECE1 | P42892 | 1/20 | 0.39 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL3579996 | 0.84 | PTGES (0.78) | ALDH1A1TSHRPTGESLDHACCR2 | |
| SCHEMBL3578110 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TSHRPTGESCCR2SMN1; SMN2 | |
| SCHEMBL3574806 | 0.79 | PTGES (0.85) | ALDH1A1TSHRPTGESLDHASMN1; SMN2 | |
| SCHEMBL3571596 | 0.78 | PTGES (0.72) | ALDH1A1TSHRPTGESLDHACCR2 | |
| SCHEMBL31019397 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TSHRPTGESLDHACCR2 | |
| SCHEMBL9428880 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TSHRPTGESLDHAGAA | |
| SCHEMBL3574862 | 0.76 | PTGES (0.77) | ALDH1A1TSHRPTGESLDHACCR2 | |
| SCHEMBL9916260 | 0.75 | AKR1C3 (0.40) | PTGESSMN1; SMN2DHODHPDE10ADHFR | |
| SCHEMBL3567316 | 0.74 | PTGES (0.71) | ALDH1A1TSHRPTGESLDHAAKR1C2 | |
| SCHEMBL5208338 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRLDHACCR2PLA2G10 |
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-101006053-A | Indoles useful for treating inflammation | BIOLIPOX AB (SE) | 2007-07-25 | — | — | CN | disclosed |