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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 9/20 | 0.54 |
| ▸ | ESRRB | O95718 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | F13A1 | P00488 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9011293 | 0.89 | RAB9A (0.57) | ESRRGNPC1RAB9ASMN1; SMN2MAPT | |
| Iodide SCHEMBL10668092 | 0.88 | ESRRG (0.55) | ESRRGNPC1RAB9AGAASMN1; SMN2 | |
| SCHEMBL11038683 | 0.88 | RAB9A (0.58) | ESRRGNPC1RAB9ASMN1; SMN2MAPT | |
| Iodide SCHEMBL8722463 | 0.86 | MEN1 (0.56) | RAB9AGAACYP1A2MAPTGFER | |
| SCHEMBL9011198 | 0.85 | MEN1 (0.57) | RAB9AGAACYP1A2MAPTGFER | |
| Iodide SCHEMBL9011303 | 0.84 | SMN1; SMN2 (0.47) | ESRRGESRRBNPC1RAB9AGAA | |
| Iodide SCHEMBL9011306 | 0.81 | CA1 (0.52) | NPC1RAB9AGAASMN1; SMN2MAPT | |
| Iodide SCHEMBL9011351 | 0.79 | TRPV1 (0.50) | NPC1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL5594655 | 0.78 | RAB9A (0.71) | ESRRGESRRBNPC1RAB9AGAA | |
| Iodide SCHEMBL9011297 | 0.77 | MAPK1 (0.44) | ESRRGGAASMN1; SMN2MAPTKDM4E |
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 |
| EP-0110955-B1 | BRAIN-SPECIFIC DRUG DELIVERY | UNIV FLORIDA (US) | 1995-08-23 | — | — | EP | disclosed |
| US-5187158-A | Sustained delivery of viricides | UNIVERSITY OF FLORIDA (US) | 1993-02-16 | — | — | US | disclosed |
| US-5008257-A | Penicillin or cephalosporin antibiotics | UNIVERSITY OF FLORIDA (US) | 1991-04-16 | — | — | 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-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-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 |