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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | CHAT | P28329 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 SCHEMBL5676545 | 1.00 | CHAT (0.45) | CHATRAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL5679470 | 0.98 | CHAT (0.43) | CHATRAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL13989158 | 0.84 | KMT2A (0.49) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL13989159 | 0.82 | KMT2A (0.53) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL18102250 | 0.80 | KDM4A (0.42) | CHATRAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL14392935 | 0.79 | KMT2A (0.40) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL13428293 | 0.78 | KMT2A (0.39) | RAB9AALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL10104165 | 0.78 | KMT2A (0.39) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL16070432 | 0.77 | CHKA (0.43) | RAB9AALDH1A1KDM4EHPGDKMT2A | |
| Iodide SCHEMBL17870554 | 0.76 | SNCA (0.53) | CHATRAB9AALDH1A1KDM4EHPGD |
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-6770102-B1 | AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-08-03 | — | — | US | claimed |
| US-6770102-B1 | AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-08-03 | — | — | US | disclosed |