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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 SCHEMBL9524176 | 0.98 | ALDH1A1 (0.42) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Iodide SCHEMBL9525393 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| SCHEMBL10401452 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9524170 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| SCHEMBL9526055 | 0.82 | HSD17B10 (0.47) | ALDH1A1HPGDKDM4EKMT2ANPC1 | |
| Iodide SCHEMBL9525383 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9524106 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HPGDEPHX1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL9524164 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| Iodide SCHEMBL9526338 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HPGDEPHX1KDM4EKMT2A | |
| SCHEMBL10401451 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDEPHX1KDM4EKMT2A |
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-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |