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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 SCHEMBL9524330 | 0.99 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1HPGDKMT2AHTT | |
| Iodide SCHEMBL9525843 | 0.94 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1HPGDKMT2AHTT | |
| Hydrochloric Acid SCHEMBL9526393 | 0.92 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1HPGDKMT2AHTT | |
| Hydrochloric Acid SCHEMBL9524489 | 0.92 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| Iodide SCHEMBL9525398 | 0.92 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| Iodide SCHEMBL9526338 | 0.92 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL9524010 | 0.90 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL9524123 | 0.90 | MTNR1A (0.37) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| Iodide SCHEMBL9524180 | 0.90 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1HPGDKMT2AHTT | |
| Hydrochloric Acid SCHEMBL9526542 | 0.90 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 |
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 3 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 |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |