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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12923305 | 0.75 | TAAR1 (0.39) | ALDH1A1LMNAPOLBKMT2ASMN1; SMN2 | |
| Iodide SCHEMBL977791 | 0.72 | GAA (0.37) | ALDH1A1LMNAPOLBKMT2AMEN1 | |
| SCHEMBL315543 | 0.70 | SMYD3 (0.47) | ALDH1A1LMNAPOLBKMT2ATHRB | |
| SCHEMBL12923331 | 0.70 | TAAR1 (0.36) | ALDH1A1LMNAPOLBKMT2ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL978104 | 0.69 | ALDH1A1 (0.35) | ALDH1A1LMNAPOLBSMN1; SMN2MAPT | |
| Iodide SCHEMBL15590042 | 0.69 | CTDSP1 (0.34) | ALDH1A1LMNAPOLBMAPTCYP1A2 | |
| SCHEMBL24401235 | 0.69 | TDP1 (0.60) | ALDH1A1POLBKMT2AMEN1MAPT | |
| SCHEMBL316260 | 0.68 | SMYD3 (0.49) | ALDH1A1LMNAPOLBKMT2ATHRB | |
| SCHEMBL4229605 | 0.66 | NPC1 (0.65) | ALDH1A1LMNAKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL9538207 | 0.65 | ALDH1A1 (0.64) | ALDH1A1LMNAPOLBKMT2ATHRB |
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-2009015485-A1 | CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2009-02-05 | — | — | WO | disclosed |