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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 9/20 | 0.58 |
| ▸ | MEN1 | O00255 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MYOC | Q99972 | 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 | |
|---|---|---|---|---|
| SCHEMBL27699195 | 0.98 | KMT2A (0.59) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL7785842 | 0.82 | ALDH1A1 (0.54) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL4185556 | 0.81 | SMN1; SMN2 (0.63) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL16470335 | 0.80 | KMT2A (0.68) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL15527542 | 0.78 | KMT2A (0.66) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL7614255 | 0.78 | KMT2A (0.56) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL8789864 | 0.77 | ALDH1A1 (0.65) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL1740370 | 0.77 | KMT2A (0.63) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL10741149 | 0.77 | KMT2A (0.63) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL7258086 | 0.75 | KMT2A (0.61) | KMT2AMEN1ALDH1A1SMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5849744-A | Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonist | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5849743-A | Quinoxalines and drugs prepared therefrom | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |