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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1030197 | 0.96 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Ethyne SCHEMBL9421998 | 0.90 | TSHR (0.38) | TSHRLMNATHRBALDH1A1TDP1 | |
| Dimethylamine SCHEMBL11697302 | 0.87 | TSHR (0.36) | TSHRLMNATHRBALDH1A1 | |
| SCHEMBL2328972 | 0.87 | TSHR (0.50) | TSHRLMNATHRBALDH1A1SLC22A1 | |
| Benzene SCHEMBL28267181 | 0.87 | TSHR (0.35) | TSHRLMNATHRBSMN1; SMN2 | |
| SCHEMBL11417390 | 0.86 | TSHR (0.47) | TSHRLMNATHRBALDH1A1SLC22A1 | |
| SCHEMBL6275141 | 0.83 | TSHR (0.53) | TSHRLMNATHRBALDH1A1SLC22A1 | |
| SCHEMBL11076226 | 0.83 | TSHR (0.53) | TSHRLMNATHRBALDH1A1SLC22A1 | |
| SCHEMBL2553636 | 0.83 | TSHR (0.53) | TSHRLMNATHRBALDH1A1SLC22A1 | |
| SCHEMBL11434423 | 0.82 | TSHR (0.32) | TSHRLMNATHRBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5243096-A | Optically active pentane derivatives and intermediates thereof, and process for manufacturing same | ASAHI DENKA KOGYO K.K. (JP) | 1993-09-07 | — | — | US | disclosed |
| US-5136061-A | Optically active pentane derivatives and intermediates thereof, and process for manufacturing same | ASAHI DENKA KOGYO K.K. (JP) | 1992-08-04 | — | — | US | disclosed |