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 | |
|---|---|---|---|---|
| ▸ | EPHB3 | P54753 | 6/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 2/20 | 0.42 |
| ▸ | TYK2 | P29597 | 2/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.37 |
| ▸ | RAB9A | P51151 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29769298 | 0.94 | EPHB3 (0.53) | EPHB3CDK2JAK1TYK2RIPK2 | |
| SCHEMBL29769297 | 0.91 | EPHB3 (0.48) | EPHB3CDK2JAK1TYK2RIPK2 | |
| SCHEMBL29769291 | 0.90 | EPHB3 (0.47) | EPHB3CDK2JAK1TYK2RIPK2 | |
| SCHEMBL11303602 | 0.90 | CDK2 (0.53) | EPHB3CDK2JAK1TYK2RIPK2 | |
| Hydrochloric Acid SCHEMBL29516534 | 0.88 | CDK2 (0.51) | EPHB3CDK2JAK1TYK2RIPK2 | |
| Bromide SCHEMBL29769300 | 0.88 | CDK2 (0.51) | EPHB3CDK2JAK1TYK2RIPK2 | |
| Hydrochloric Acid SCHEMBL29483244 | 0.88 | CDK2 (0.51) | EPHB3CDK2JAK1TYK2RIPK2 | |
| SCHEMBL29769292 | 0.87 | EPHB3 (0.45) | EPHB3CDK2JAK1TYK2RIPK2 | |
| Phosphoric Acid SCHEMBL29769294 | 0.87 | EPHB3 (0.56) | EPHB3CDK2JAK1TYK2RIPK2 | |
| Oxalic Acid SCHEMBL29769296 | 0.87 | EPHB3 (0.56) | EPHB3CDK2RIPK2LCKNPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478586-A | Salt or crystal form of inhibitor containing bicyclic derivatives, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-13 | — | — | CN | disclosed |