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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9095606 | 0.98 | TP53 (0.42) | TP53KCNH2ALDH1A1 | |
| SCHEMBL10874109 | 0.76 | KCNH2 (0.53) | KCNH2 | |
| SCHEMBL4608670 | 0.75 | NPC1 (0.38) | TP53 | |
| Bromide SCHEMBL11137908 | 0.74 | KCNH2 (0.51) | KCNH2 | |
| Hydrochloric Acid SCHEMBL8341358 | 0.74 | KCNH2 (0.51) | KCNH2 | |
| Bromide SCHEMBL8340479 | 0.74 | KCNH2 (0.51) | KCNH2 | |
| SCHEMBL15153591 | 0.73 | TAAR1 (0.46) | — | |
| Bromide SCHEMBL11215458 | 0.73 | CALM1 (0.42) | TP53KCNH2KDM4EALDH1A1 | |
| SCHEMBL11147037 | 0.72 | HDAC8 (0.31) | — | |
| Iodide SCHEMBL14633634 | 0.71 | HDAC8 (0.44) | TP53KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563273-A | COLOR CHANGE AGENT | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0431547-B1 | Charge transfer salts and uses thereof | IBM (US) | 1994-09-21 | — | — | EP | disclosed |
| US-5179467-A | Color for visual displays in electrochemical cells | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |
| WO-1991008507-A1 | CHARGE TRANSFER SALTS AND USES THEREOF | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1991-06-13 | — | — | WO | disclosed |
| EP-0431547-A2 | Charge transfer salts and uses thereof | International Business Machines Corporation (US) | 1991-06-12 | — | — | EP | disclosed |