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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL17958027 | 0.87 | CA2 (0.40) | AURKAAURKBINCENPDAOTSHR | |
| Benzene SCHEMBL28086885 | 0.82 | AURKA (0.46) | AURKAAURKBINCENPDAOTSHR | |
| SCHEMBL27969159 | 0.82 | — | — | |
| Fluoride SCHEMBL28006656 | 0.82 | — | — | |
| SCHEMBL28027278 | 0.78 | MCL1 (0.40) | AURKAAURKBINCENPDAOALDH1A1 | |
| Maleic Acid SCHEMBL31158052 | 0.76 | MAPT (0.41) | AURKAAURKBINCENPTSHRALDH1A1 | |
| Pyrrole SCHEMBL27278443 | 0.75 | AURKA (0.41) | AURKAAURKBINCENPDAOHDAC8 | |
| Chlorobenzene SCHEMBL28131093 | 0.74 | TSHR (0.50) | AURKAAURKBINCENPTSHRALDH1A1 | |
| Piperazine SCHEMBL28105190 | 0.73 | AURKA (0.39) | AURKAAURKBINCENPDAOMAPT | |
| Thiophene SCHEMBL28263548 | 0.71 | AURKA (0.38) | AURKAAURKBINCENP |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348145-B | The method of ammonia type flue gas desulfurizing by-product cyclohexanone oxime | 中石化南京工程有限公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-105384656-B | A kind of method of cyclohexanone oximate | 中石化南京工程有限公司 | 2017-08-25 | — | — | CN | disclosed |
| CN-105384656-A | Cyclohexanone oxime synthesis method | SINOPEC NANJING ENGINEERING & CONSTRUCTION INC | 2016-03-09 | — | — | CN | disclosed |
| CN-105348145-A | Method for producing by-product cyclohexanone-oxime through flue gas desulphurization by ammonia method | SINOPEC NANJING ENGINEERING & CONSTRUCTION INC | 2016-02-24 | — | — | CN | disclosed |