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 | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.62 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3262023 | 0.87 | SPHK2 (0.79) | SPHK1SPHK2TP53CYP2C19CYP2D6 | |
| SCHEMBL1795496 | 0.87 | — | — | |
| SCHEMBL30468553 | 0.86 | SPHK2 (0.52) | SPHK1SPHK2TP53CYP2C19NPSR1 | |
| SCHEMBL3989834 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7060562 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3228 | 0.85 | — | — | |
| SCHEMBL31038604 | 0.84 | SPHK2 (0.50) | SPHK1SPHK2TP53CYP2C19NPSR1 | |
| Hexane SCHEMBL28169779 | 0.82 | TP53 (0.54) | SPHK1SPHK2TP53CYP2C19NPSR1 | |
| Acetic Acid SCHEMBL6262297 | 0.81 | SPHK2 (0.62) | SPHK1SPHK2TP53CES1CES2 | |
| SCHEMBL1238028 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0315467-A2 | Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia | LyphoMed, Inc. (US) | 1989-05-10 | — | — | EP | claimed |
| US-5084480-A | Treatment of pneumonia in persons with AIDS | FUJISAWA USA, INC. (US) | 1992-01-28 | — | — | US | disclosed |
| EP-0315467-A2 | Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia | LyphoMed, Inc. (US) | 1989-05-10 | — | — | EP | disclosed |