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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | NMT1 | P30419 | 4/20 | 0.33 |
| ▸ | NMT2 | O60551 | 3/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9518376 | 0.99 | SIGMAR1 (0.41) | SIGMAR1NMT1NMT2CHRNB2CHRNB4 | |
| Acetic Acid SCHEMBL9429226 | 0.92 | SIGMAR1 (0.39) | SIGMAR1NMT1NMT2CHRNB2CHRNB4 | |
| Iodide SCHEMBL9518050 | 0.81 | — | — | |
| SCHEMBL9518068 | 0.80 | — | — | |
| SCHEMBL1827419 | 0.74 | METAP1 (0.36) | SIGMAR1EPHX1 | |
| SCHEMBL1827420 | 0.72 | SIGMAR1 (0.55) | SIGMAR1SPHK1 | |
| Acetic Acid SCHEMBL9518315 | 0.70 | SIGMAR1 (0.46) | SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL11670399 | 0.70 | SIGMAR1 (0.49) | SIGMAR1NMT1NMT2EPHX1 | |
| SCHEMBL6975316 | 0.68 | SIGMAR1 (0.63) | SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8092280 | 0.68 | SIGMAR1 (0.62) | SIGMAR1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5302620-A | Bisguanidines and fungicides containing them | BASF AKTIENGESELLSCHAFT (DE) | 1994-04-12 | — | — | US | disclosed |
| EP-0472093-B1 | Bis guanidines and fungicides containing same | BASF AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-5242948-A | BISGUANIDINES AND FUNGICIDES CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | disclosed |
| EP-0472093-A1 | Bis guanidines and fungicides containing same | BASF Aktiengesellschaft (DE) | 1992-02-26 | — | — | EP | disclosed |