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 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8628980 | 0.87 | AVPR2 (0.47) | PDK1PDK2PDK3PDK4HTR7 | |
| Iodide SCHEMBL8634378 | 0.86 | ALDH1A1 (0.37) | KDM4EALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL8628399 | 0.85 | ALDH1A1 (0.37) | KDM4EALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL8630394 | 0.84 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| Iodide SCHEMBL4686142 | 0.82 | AVPR2 (0.40) | KDM4EALDH1A1SMN1; SMN2MAPTLMNA | |
| Iodide SCHEMBL8634375 | 0.82 | MAPT (0.37) | ALDH1A1SMN1; SMN2MAPTLMNANPC1 | |
| SCHEMBL4687267 | 0.76 | AVPR2 (0.43) | KDM4EALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL8627674 | 0.76 | AVPR2 (0.38) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL8630392 | 0.74 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL8628397 | 0.74 | IDO1 (0.33) | ALDH1A1SMN1; SMN2MAPTLMNANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |