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 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7110919 | 0.80 | SMN1; SMN2 (0.40) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| SCHEMBL10874106 | 0.76 | SMN1; SMN2 (0.53) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| SCHEMBL15153589 | 0.75 | SMN1; SMN2 (0.34) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Bromide SCHEMBL8340477 | 0.74 | SMN1; SMN2 (0.52) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL8341355 | 0.74 | SMN1; SMN2 (0.51) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Bromide SCHEMBL11137906 | 0.74 | SMN1; SMN2 (0.52) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Bromide SCHEMBL11135085 | 0.74 | SMN1; SMN2 (0.52) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Bromide SCHEMBL11215457 | 0.73 | ALDH1A1 (0.45) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL7005196 | 0.73 | KDM4E (0.49) | KDM4ERAB9ASMN1; SMN2KMT2ANPC1 | |
| SCHEMBL14562400 | 0.73 | POLB (0.35) | RAB9ASMN1; SMN2NPC1ALDH1A1POLB |
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 |