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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LDHA | P00338 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 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 | |
|---|---|---|---|---|
| SCHEMBL13646896 | 0.88 | MAPT (0.56) | KDM4EALDH1A1HTTSMN1; SMN2CTDSP1 | |
| SCHEMBL11515408 | 0.71 | LDHA (0.51) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4869324 | 0.68 | KDM4E (0.54) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL23624706 | 0.66 | LDHA (0.55) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL12922996 | 0.65 | PFKFB3 (0.53) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| Bromide SCHEMBL1506908 | 0.65 | MAPT (0.63) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL12278579 | 0.65 | LDHA (0.57) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL4011536 | 0.64 | LDHA (0.78) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL7525964 | 0.63 | TDP1 (0.52) | KDM4EALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL2550927 | 0.63 | ALDH1A1 (0.56) | KDM4EALDH1A1HTTSMN1; SMN2MAPT |
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-2009085226-A2 | INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-07-09 | — | — | WO | disclosed |