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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16423125 | 0.82 | MEN1 (0.62) | MEN1KMT2ACYP2C19CYP2C9RAB9A | |
| Iodide SCHEMBL10592683 | 0.81 | IDO1 (0.59) | MEN1KMT2ARAB9ANPC1HPGD | |
| SCHEMBL15462253 | 0.81 | MAPT (0.53) | MEN1KMT2ARAB9ANPC1TP53 | |
| SCHEMBL7785365 | 0.80 | TPSAB1 (0.52) | CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL28272776 | 0.80 | LMNA (0.54) | KMT2ARAB9ANPC1TP53HPGD | |
| SCHEMBL8772893 | 0.79 | IDO1 (0.61) | MEN1KMT2ARAB9ANPC1HPGD | |
| Iodide SCHEMBL9427472 | 0.79 | EPHX2 (0.52) | MEN1KMT2ACYP2C19RAB9ANPC1 | |
| SCHEMBL27378749 | 0.79 | CA2 (0.41) | NPC1 | |
| SCHEMBL16453344 | 0.78 | MEN1 (0.55) | MEN1KMT2ACYP2C19CYP2C9RAB9A | |
| SCHEMBL28638828 | 0.77 | ALDH1A1 (0.50) | MEN1KMT2ARAB9ANPC1ALDH1A1 |
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-4243667-A | 2-Benzhydrylimino-1,3-diazacarbocyclic compounds as inhibitors of gastric secretion | MCNEIL LABORATORIES, INCORPORATED (US) | 1981-01-06 | — | — | US | disclosed |