Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 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 | |
|---|---|---|---|---|
| SCHEMBL12776826 | 0.86 | GPR35 (0.40) | GPR35TRPV1PDK1ALDH1A1SNCA | |
| SCHEMBL1123246 | 0.84 | TYR (0.46) | GPR35TRPV1MCL1ALDH1A1TDP1 | |
| SCHEMBL4363348 | 0.82 | GPR35 (0.60) | GPR35MCL1ESR1ESR2ALDH1A1 | |
| SCHEMBL4963591 | 0.82 | GPR35 (0.58) | GPR35ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL31395812 | 0.82 | GPR35 (0.58) | GPR35ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL22261894 | 0.81 | TYR (0.51) | TRPV1MCL1TDP1TP53TSHR | |
| Phosphoric Acid SCHEMBL28852824 | 0.79 | GRIN2D (0.39) | GPR35TRPV1MCL1ESR1ESR2 | |
| SCHEMBL1828132 | 0.78 | TSHR (0.47) | GPR35PDK1ALDH1A1TDP1TSHR | |
| SCHEMBL14228262 | 0.77 | ALDH1A1 (0.44) | GPR35MCL1PDK1ALDH1A1TDP1 | |
| SCHEMBL27267409 | 0.77 | HCAR3 (0.43) | PDK1ALDH1A1TDP1TP53TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4457806-A | 2,6-DINITRO-4-ETHYLPHENOL | THE SHERWIN-WILLIAMS COMPANY (US) | 1984-07-03 | — | — | US | claimed |
| US-4474646-A | DINITROPHENOIS | THE SHERWIN-WILLIAMS COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4457806-A | 2,6-DINITRO-4-ETHYLPHENOL | THE SHERWIN-WILLIAMS COMPANY (US) | 1984-07-03 | — | — | US | disclosed |