Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. 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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9011417 | 0.93 | CA1 (0.41) | MAPK1GAAALDH1A1SMN1; SMN2HPGD | |
| Iodide SCHEMBL9011351 | 0.89 | TRPV1 (0.50) | MAPK1GAAALDH1A1SMN1; SMN2HPGD | |
| Iodide SCHEMBL9011303 | 0.86 | SMN1; SMN2 (0.47) | GAAALDH1A1SMN1; SMN2ESRRGMAPT | |
| Trifluoroacetic Acid SCHEMBL8724650 | 0.80 | ADRB2 (0.50) | MAPK1GAAALDH1A1SMN1; SMN2HPGD | |
| Iodide SCHEMBL9011306 | 0.80 | CA1 (0.52) | MAPK1GAAALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9011252 | 0.79 | MAPK1 (0.71) | MAPK1GAAALDH1A1SMN1; SMN2MAPT | |
| Iodide SCHEMBL8722463 | 0.78 | MEN1 (0.56) | MAPK1GAAALDH1A1HPGDCA1 | |
| SCHEMBL9011198 | 0.77 | MEN1 (0.57) | MAPK1GAAALDH1A1HPGDCA1 | |
| Iodide SCHEMBL9011248 | 0.77 | ESRRG (0.54) | GAASMN1; SMN2ESRRGMAPTAPOBEC3A | |
| SCHEMBL21510386 | 0.76 | ADRB2 (0.49) | ALDH1A1SMN1; SMN2CA1CA2CA9 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5525727-A | ANALGESIC OR NARCOTIC ANTAGONIST | UNIVERSITY OF FLORIDA (US) | 1996-06-11 | — | — | US | disclosed |
| US-5187158-A | Sustained delivery of viricides | UNIVERSITY OF FLORIDA (US) | 1993-02-16 | — | — | US | disclosed |
| US-4900837-A | Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors | UNIVERSITY OF FLORIDA (US) | 1990-02-13 | — | — | US | disclosed |
| US-4880816-A | Brain-specific delivery of dopamine utilizing dihydropyridine/pyridinium salt-type redox carriers | UNIVERSITY OF FLORIDA (US) | 1989-11-14 | — | — | US | disclosed |
| US-4880921-A | Brain-specific drug delivery | UNIVERSITY OF FLORIDA (US) | 1989-11-14 | — | — | US | disclosed |
| US-4824850-A | DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER | UNIVERSITY OF FLORIDA (US) | 1989-04-25 | — | — | US | disclosed |
| US-4727079-A | Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides | UNIVERSITY OF FLORIDA (US) | 1988-02-23 | — | — | US | disclosed |
| US-4540564-A | DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER | UNIVERSITY OF FLORIDA (US) | 1985-09-10 | — | — | US | disclosed |
| US-4479932-A | DIHYDROPYRIDINE PYRIDINIUM SALT REDOX CARRIER | UNIVERSITY OF FLORIDA (US) | 1984-10-30 | — | — | US | disclosed |
| EP-0110955-A1 | BRAIN-SPECIFIC DRUG DELIVERY. | UNIV FLORIDA (US) | 1984-06-20 | — | — | EP | disclosed |
| WO-1983003968-A1 | BRAIN-SPECIFIC DRUG DELIVERY | UNIVERSITY OF FLORIDA (US) | 1983-11-24 | — | — | WO | disclosed |