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 | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.52 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | LAP3 | P28838 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 SCHEMBL27224650 | 0.97 | PLA2G1B (0.56) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| Iodide SCHEMBL29029790 | 0.97 | PLA2G1B (0.56) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| Iodide SCHEMBL29170896 | 0.97 | PLA2G1B (0.56) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| SCHEMBL120706 | 0.97 | — | — | |
| SCHEMBL20217094 | 0.97 | — | — | |
| SCHEMBL18576610 | 0.97 | — | — | |
| SCHEMBL24530563 | 0.94 | PLA2G1B (0.58) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| SCHEMBL14043625 | 0.94 | PLA2G1B (0.58) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| SCHEMBL13262906 | 0.94 | PLA2G1B (0.58) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 | |
| SCHEMBL118198 | 0.94 | PLA2G1B (0.58) | OPRM1PLA2G1BPLA2G2AS1PR2S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |