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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.62 |
| ▸ | CA2 | P00918 | 8/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.62 |
| ▸ | CA3 | P07451 | 3/20 | 0.62 |
| ▸ | CA4 | P22748 | 3/20 | 0.62 |
| ▸ | CA6 | P23280 | 3/20 | 0.62 |
| ▸ | CA5A | P35218 | 3/20 | 0.62 |
| ▸ | CA7 | P43166 | 3/20 | 0.62 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.62 |
| ▸ | MMP1 | P03956 | 1/20 | 0.61 |
| ▸ | MMP2 | P08253 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | MMP8 | P22894 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| P-Nitrophenol SCHEMBL2906482 | 0.91 | CA1 (0.54) | CA1CA2CA9CA12CA14 | |
| Sulfuric Acid SCHEMBL10534239 | 0.89 | FLT1 (0.58) | CA1CA2CA9CA12CA14 | |
| 4-Nitroaniline SCHEMBL10960882 | 0.89 | ALDH1A1 (0.78) | CA1CA2CA9CA12CA14 | |
| 4-Nitroaniline SCHEMBL11647816 | 0.89 | ALDH1A1 (0.78) | CA1CA2CA9CA12CA14 | |
| Sulfuric Acid SCHEMBL28785753 | 0.89 | CA1 (0.53) | CA1CA2CA9CA12CA14 | |
| 4-Nitrotoluene SCHEMBL27415361 | 0.89 | ACHE (0.78) | CA1CA2CA9CA12CA14 | |
| 4-Nitrotoluene SCHEMBL27415359 | 0.89 | ACHE (0.78) | CA1CA2CA9CA12CA14 | |
| SCHEMBL9578 | 0.87 | CA1 (0.61) | CA1CA2CA9CA12CA14 | |
| Nitrobenzene SCHEMBL5545953 | 0.87 | ALDH1A1 (0.76) | CA1CA2CA9CA12CA14 | |
| SCHEMBL30002841 | 0.87 | CA1 (0.61) | CA1CA2CA9CA12CA14 |
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-113631174-A | Cristiparous bacteria for the prophylaxis and/or treatment of chronic inflammatory diseases and/or inflammatory gastrointestinal diseases and/or cancer | 伊索比亚生物科技公司 | 2021-11-09 | — | — | CN | disclosed |