Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL7861504 | 1.00 | CXCR4 (0.56) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT | |
| Sulfuric Acid SCHEMBL8204121 | 1.00 | CXCR4 (0.56) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT | |
| Sulfuric Acid SCHEMBL7856024 | 0.94 | CXCR4 (0.56) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT | |
| Sulfuric Acid SCHEMBL7864317 | 0.94 | CXCR4 (0.56) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT | |
| Sulfuric Acid SCHEMBL7862755 | 0.94 | CXCR4 (0.56) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT | |
| Sulfuric Acid SCHEMBL7863734 | 0.90 | HIF1A (0.46) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Sulfuric Acid SCHEMBL7861471 | 0.90 | HIF1A (0.46) | CXCR4SMN1; SMN2HIF1AMAPTPDE4A | |
| Piperidine SCHEMBL27494538 | 0.81 | ALDH1A1 (0.56) | CXCR4SMN1; SMN2ALDH1A1KDM4EAPLNR | |
| Piperidine SCHEMBL17102909 | 0.77 | ALDH1A1 (0.50) | CXCR4SMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL8502474 | 0.75 | CXCR4 (0.82) | CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729938-B1 | A method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS INC (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-6028193-A | CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR | MITSUI CHEMICALS, INC. (JP) | 2000-02-22 | — | — | US | disclosed |
| US-5945572-A | Method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS, INC. (JP) | 1999-08-31 | — | — | US | disclosed |
| US-5847227-A | Method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0729938-A2 | A method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |