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 | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL3500716 | 0.78 | NPC1 (0.49) | ROCK1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL3500285 | 0.73 | CYP1A2 (0.47) | ROCK1RAB9ACYP1A2CYP2C19CYP3A4 | |
| Iodide SCHEMBL3498356 | 0.71 | DNMT1 (0.35) | ROCK1RAB9ANPC1MAPTGAA | |
| SCHEMBL3499609 | 0.69 | DNMT1 (0.36) | ROCK1RAB9ANPC1MAPTTP53 | |
| SCHEMBL12968741 | 0.69 | ROCK1 (1.00) | ROCK1ROCK2 | |
| Hydrochloric Acid SCHEMBL3497424 | 0.69 | DNMT1 (0.35) | ROCK1RAB9ANPC1MAPTGAA | |
| Pyritidium SCHEMBL7636972 | 0.68 | MEN1 (0.49) | RAB9ACYP1A2NPC1CYP2C19CYP3A4 | |
| Pyritidium SCHEMBL29387282 | 0.68 | MEN1 (0.49) | RAB9ACYP1A2NPC1CYP2C19CYP3A4 | |
| Sulfuric Acid SCHEMBL8658789 | 0.68 | TERT (0.59) | MEN1KMT2ATERT | |
| Pyritidium SCHEMBL2732830 | 0.67 | MEN1 (0.51) | RAB9ACYP1A2NPC1CYP2C19CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422178-B1 | PYRIMIDINE DERIVATIVES | ZENECA LTD (GB) | 1994-10-05 | — | — | EP | disclosed |
| US-5223505-A | PYRIMIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-06-29 | — | — | US | disclosed |
| EP-0422178-A1 | PYRIMIDINE DERIVATIVES. | ICI PLC (GB) | 1991-04-17 | — | — | EP | disclosed |
| WO-1990012790-A1 | PYRIMIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-11-01 | — | — | WO | disclosed |