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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | F10 | P00742 | 1/20 | 0.50 |
| ▸ | F12 | P00748 | 1/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3073023 | 0.97 | — | — | |
| Bromide SCHEMBL8216160 | 0.94 | F2 (0.50) | F2CA2CA4F10F12 | |
| SCHEMBL15219042 | 0.72 | F2 (0.52) | F2CA2CA4F10F12 | |
| SCHEMBL3805878 | 0.71 | — | — | |
| SCHEMBL2883726 | 0.71 | CA2 (0.58) | F2CA2CA4F10F12 | |
| SCHEMBL6429964 | 0.71 | CA2 (0.58) | F2CA2CA4F10F12 | |
| SCHEMBL2883723 | 0.71 | CA2 (0.58) | F2CA2CA4F10F12 | |
| SCHEMBL17504065 | 0.71 | CA2 (0.58) | F2CA2CA4F10F12 | |
| SCHEMBL16814995 | 0.71 | F2 (0.58) | F2CA2CA4F10F12 | |
| Benzamide SCHEMBL30081945 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0005385-B1 | PIPERAZINE METHANE IMINE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE | LAROCHE NAVARRON S.A. Société dite: (FR) | 1982-09-01 | — | — | EP | claimed |
| US-4259334-A | Piperazines and therapeutic utility | LAROCHE NAVARRON S.A. (FR) | 1981-03-31 | — | — | US | disclosed |