Known targets — ChEMBL curated mechanism
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
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
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 SCHEMBL3358791 | 0.94 | FFAR4 (0.40) | FFAR4CYP2A6MAPTRAB9AS100A4 | |
| SCHEMBL3421204 | 0.93 | CYP2A6 (0.43) | FFAR4CYP2A6MAPTRAB9AS100A4 | |
| Sulfuric Acid SCHEMBL3358785 | 0.92 | FFAR4 (0.41) | FFAR4CYP2A6MAPTRAB9AS100A4 | |
| SCHEMBL25602279 | 0.75 | MAPT (0.40) | CYP2A6MAPTRAB9AS100A4NPC1 | |
| Acetic Acid SCHEMBL38654826 | 0.71 | FLT1 (0.38) | RAB9ANPC1SMN1; SMN2CA2 | |
| SCHEMBL10034787 | 0.70 | MAPT (0.41) | CYP2A6MAPTRAB9AS100A4NPC1 | |
| SCHEMBL5054189 | 0.70 | KDM4E (0.44) | MAPTALDH1A1SMN1; SMN2CA2HPGD | |
| SCHEMBL29787835 | 0.69 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL110321 | 0.69 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL27688773 | 0.69 | KDM4E (0.43) | MAPTALDH1A1SMN1; SMN2CA2HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751821-B1 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-09-05 | — | — | US | disclosed |
| US-20170233321-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-08-17 | — | — | US | disclosed |
| US-9676692-B2 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-06-13 | — | — | US | disclosed |
| US-20150119576-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | NISSAN CHEMICAL CORPORATION (JP) | 2015-04-30 | — | — | US | disclosed |
| US-8952175-B2 | Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-02-10 | — | — | US | disclosed |
| US-20100137612-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-03 | — | — | US | disclosed |
| EP-2172462-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150119576-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | ADH1C, ADH1A, CYP2E1 | FFAR4 1308/4885CYP2A6 132/4885MAPT 3194/4885 |
| US-20100137612-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND | ADH1C, CYP2E1, ADH1A | FFAR4 910/4885CYP2A6 102/4885MAPT 3370/4885 |
| US-20170233321-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | ADH1C, ADH1A, CYP2E1 | FFAR4 1308/4885CYP2A6 132/4885MAPT 3194/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.