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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | CCR2 | P41597 | 3/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
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 SCHEMBL2907065 | 0.98 | KDM4E (0.57) | KDM4ECCR2SIGMAR1MLLT1HPGD | |
| Hydrochloric Acid SCHEMBL2907800 | 0.96 | KDM4E (0.58) | KDM4ECCR2SIGMAR1MLLT1HPGD | |
| SCHEMBL13683756 | 0.84 | NPC1 (0.62) | KDM4EHPGDRAB9ANPC1MAPT | |
| SCHEMBL13212024 | 0.79 | HRH3 (0.63) | KDM4ERAB9AKMT2AMEN1NPC1 | |
| SCHEMBL2984102 | 0.78 | RAB9A (0.58) | KDM4EHPGDRAB9AKMT2AMEN1 | |
| SCHEMBL27101127 | 0.78 | GAA (0.65) | KDM4EHPGDRAB9AKMT2AMEN1 | |
| SCHEMBL17740304 | 0.77 | GAA (0.58) | KDM4ERAB9AKMT2ANPC1MAPT | |
| SCHEMBL307686 | 0.76 | ROCK2 (0.69) | KDM4ERAB9AKMT2AMEN1NPC1 | |
| SCHEMBL2696198 | 0.76 | KDM4E (0.74) | KDM4ECCR2HPGDRAB9AKMT2A | |
| SCHEMBL2697884 | 0.76 | KDM4E (0.74) | KDM4ECCR2RAB9AKMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765803-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006012135-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2006-02-02 | — | — | WO | disclosed |