Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL460174 | 0.81 | STAT3 (0.51) | BACE1STAT3AURKAAURKBMAOA | |
| SCHEMBL30394362 | 0.81 | STAT3 (0.51) | BACE1STAT3AURKAAURKBMAOA | |
| SCHEMBL27279359 | 0.81 | STAT3 (0.51) | BACE1STAT3AURKAAURKBMAOA | |
| SCHEMBL8909039 | 0.81 | HNF4A (0.43) | BACE1HDAC4HDAC2HDAC8TSHR | |
| SCHEMBL27705010 | 0.80 | CA2 (0.48) | STAT3CDK2TTRCYP2C9 | |
| SCHEMBL5351430 | 0.79 | TSHR (0.39) | CYP1A2TSHRSMN1; SMN2CDK2HTT | |
| SCHEMBL27914239 | 0.79 | SMN1; SMN2 (0.39) | HDAC8CYP1A2TSHRSMN1; SMN2CDK2 | |
| SCHEMBL30626032 | 0.79 | FABP4 (0.44) | TSHRSMN1; SMN2CDK2HTTALDH1A1 | |
| Phenolsulphonic Acid SCHEMBL28509122 | 0.79 | SMN1; SMN2 (0.50) | AURKAAURKBTSHRSMN1; SMN2CDK2 | |
| SCHEMBL12096980 | 0.79 | BACE1 (0.40) | BACE1STAT3HDAC4HDAC2HDAC8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303562-B1 | ALKYLATING HYDROXYPHENYLBENZENESULFINIC/SULFONIC ACID COMPOUND WITH ALKENE OR SUBSTITUTED ALKENE TO FORM ALKYLATED PRODUCT | ENCHIRA BIOTECHNOLOGY CORPORATION | 2001-10-16 | — | — | US | claimed |
| WO-2000042005-A1 | COMPOSITIONS COMPRISING 2-(2-HYDROXYPHENYL) BENZENESULFINATE AND ALKYL-SUBSTITUTED DERIVATIVES THEREOF | ENERGY BIOSYSTEMS CORPORATION (US) | 2000-07-20 | — | — | WO | claimed |
| US-6303562-B1 | ALKYLATING HYDROXYPHENYLBENZENESULFINIC/SULFONIC ACID COMPOUND WITH ALKENE OR SUBSTITUTED ALKENE TO FORM ALKYLATED PRODUCT | ENCHIRA BIOTECHNOLOGY CORPORATION | 2001-10-16 | — | — | US | disclosed |
| WO-2000042005-A1 | COMPOSITIONS COMPRISING 2-(2-HYDROXYPHENYL) BENZENESULFINATE AND ALKYL-SUBSTITUTED DERIVATIVES THEREOF | ENERGY BIOSYSTEMS CORPORATION (US) | 2000-07-20 | — | — | WO | disclosed |