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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL5047571 | 0.77 | TSHR (0.57) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL5050004 | 0.76 | TSHR (0.51) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3197028 | 0.75 | TSHR (0.58) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL81393 | 0.72 | CYP2C9 (0.55) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL8298426 | 0.72 | TSHR (0.55) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| Hydrochloric Acid SCHEMBL4126481 | 0.71 | TSHR (0.54) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL20306087 | 0.71 | HDAC1 (0.54) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| Iodide SCHEMBL8696715 | 0.71 | CES2 (0.44) | RAB9ANPC1CES2CES1MEN1 | |
| SCHEMBL28328354 | 0.70 | TSHR (0.52) | TSHRCYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL19185882 | 0.70 | HDAC1 (0.52) | TSHRCYP2D6CYP2C9CYP2C19RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003478-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |