Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ioversol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 4/20 | 0.31 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.30 |
| ▸ | IARS2 | Q9NSE4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ioversol SCHEMBL9745016 | 0.95 | LMNA (0.64) | LMNACYP2C19HIF1AEGFRSRC | |
| Ioversol SCHEMBL24711 | 0.95 | LMNA (0.64) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9736495 | 0.93 | LMNA (0.60) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9317161 | 0.92 | LMNA (0.61) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9196493 | 0.92 | LMNA (0.60) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL7795950 | 0.91 | LMNA (0.59) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL22661224 | 0.90 | LMNA (0.58) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9739663 | 0.89 | LMNA (0.60) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9735119 | 0.88 | LMNA (0.56) | LMNACYP2C19HIF1AEGFRSRC | |
| SCHEMBL9734888 | 0.88 | LMNA (0.56) | LMNACYP2C19HIF1AEGFRSRC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0762900-B1 | IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION | MALLINCKRODT INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-0762900-A4 | IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION | MALLINCKRODT MEDICAL INC (US) | 1997-05-07 | — | — | EP | disclosed |
| EP-0762900-A1 | IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION | MALLINCKRODT MEDICAL, INC. (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995035122-A1 | IMPROVED SYNTHESIS OF IOVERSOL USING PHOSPHORIC ACID MODIFIED CO-ADDITION | MALLINCKRODT MEDICAL, INC. (US) | 1995-12-28 | — | — | WO | disclosed |
| US-5356520-A | Separation of high boiling point solvents from amyl acetate | MALLINCKRODT MEDICAL PMC (US) | 1994-10-18 | — | — | US | disclosed |