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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL695514 | 0.94 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| SCHEMBL6123310 | 0.83 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL695210 | 0.76 | GAA (0.63) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| SCHEMBL2448741 | 0.75 | KDM4E (0.71) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| SCHEMBL1080500 | 0.75 | MAPK1 (0.57) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| Hydrochloric Acid SCHEMBL695272 | 0.74 | KDM4E (0.71) | ALDH1A1KMT2AGAAKDM4EMAPK1 | |
| SCHEMBL2450364 | 0.73 | GAA (0.78) | ALDH1A1KMT2AGAAKDM4EMEN1 | |
| SCHEMBL1070362 | 0.73 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| SCHEMBL2444402 | 0.72 | GAA (0.77) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E | |
| SCHEMBL3314498 | 0.72 | GAA (0.77) | ALDH1A1SMN1; SMN2KMT2AGAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421828-A2 | PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN | Cadila Healthcare Limited (IN) | 2012-02-29 | — | — | EP | disclosed |