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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 6/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866104 | 0.99 | MAPT (0.44) | MAPTTDP1NPSR1NTSR1KDM4E | |
| Iodide SCHEMBL9866100 | 0.92 | MAPT (0.43) | MAPTTDP1NPSR1NTSR1KDM4E | |
| SCHEMBL9339365 | 0.92 | MAPT (0.45) | MAPTTDP1NPSR1NTSR1KDM4E | |
| SCHEMBL9335616 | 0.87 | LMNA (0.44) | MAPTTDP1NPSR1NTSR1KDM4E | |
| Iodide SCHEMBL9217545 | 0.84 | CCKBR (0.42) | MAPTTDP1F10ITGB3ITGA2B | |
| SCHEMBL9217556 | 0.84 | REN (0.49) | — | |
| Iodide SCHEMBL9215204 | 0.83 | ITGB3 (0.51) | MAPTTDP1NPSR1KDM4EF2 | |
| SCHEMBL9335719 | 0.83 | ITGB3 (0.55) | F10PRSS1ITGB3ITGA2B | |
| SCHEMBL9215215 | 0.82 | ITGB3 (0.52) | MAPTTDP1NPSR1KDM4EF2 | |
| SCHEMBL9215140 | 0.81 | REN (0.47) | MAPTTDP1NPSR1F10F2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5039805-A | Novel benzoic and phenylacetic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-08-13 | — | — | US | disclosed |