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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.37 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7834141 | 0.71 | CYP19A1 (0.41) | HTR6CYP19A1TBXAS1KDM4CKDM5A | |
| SCHEMBL10423983 | 0.70 | ALDH1A1 (0.44) | HTR6CYP19A1TBXAS1KDM4CKDM5A | |
| SCHEMBL9516952 | 0.70 | ALDH1A1 (0.44) | HTR6CYP19A1TBXAS1KDM4CKDM5A | |
| SCHEMBL7835862 | 0.70 | LMNA (0.41) | HTR6CYP19A1TBXAS1CYP1A2 | |
| SCHEMBL27579440 | 0.69 | HTR6 (0.51) | HTR6CYP19A1TBXAS1 | |
| SCHEMBL10092668 | 0.66 | SIGMAR1 (0.49) | HTR6CYP19A1TBXAS1 | |
| SCHEMBL7836198 | 0.66 | SIGMAR1 (0.39) | HTR6CYP19A1TBXAS1 | |
| Sulfuric Acid SCHEMBL1966148 | 0.66 | CYP1A2 (0.36) | CYP1A2AURKAAURKB | |
| SCHEMBL644078 | 0.66 | HTR6 (0.61) | HTR6CYP19A1TBXAS1 | |
| SCHEMBL21159345 | 0.65 | RAB9A (0.40) | CYP1A2AURKARPS6KB1AURKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |
| US-5965563-A | NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-12 | — | — | US | disclosed |
| EP-0802914-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1997018212-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-22 | — | — | WO | disclosed |