Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.57 |
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4443074 | 0.97 | CCR1 (0.62) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| Sulfuric Acid SCHEMBL1952168 | 0.85 | CCR1 (0.76) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL30172128 | 0.83 | CCR1 (0.60) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL1950538 | 0.82 | CCR1 (0.80) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL3140501 | 0.81 | ABCB11 (0.65) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL3675985 | 0.80 | CCR1 (0.68) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL3154883 | 0.80 | ABCB11 (0.65) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL3682423 | 0.79 | ABCB11 (0.56) | CCR1ABCB11MCHR1BCHEACHE | |
| SCHEMBL3135724 | 0.78 | ABCB11 (0.72) | CCR1ABCB11CCR5SIGMAR1MCHR1 | |
| SCHEMBL30172126 | 0.78 | ABCB11 (0.60) | CCR1ABCB11CCR5SIGMAR1MCHR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125728-A1 | NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA | AstraZeneca AB (SE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008103125-A1 | NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA | ASTRAZENECA AB (SE) | 2008-08-28 | — | — | WO | disclosed |