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 | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | BCR | P11274 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27472703 | 0.88 | PTGS2 (0.51) | PTGS2STAT3PTPN1SMN1; SMN2DRD1 | |
| SCHEMBL4684669 | 0.83 | PTGS2 (0.51) | PTGS2TP53RAB9ASMN1; SMN2DRD1 | |
| Iodide SCHEMBL2865870 | 0.82 | STAT3 (0.46) | ABL1ABCB1BCRPTGS2HDAC4 | |
| Hydrogen Sulfide SCHEMBL19066712 | 0.79 | STAT3 (0.46) | ABL1ABCB1BCRPTGS2HDAC4 | |
| SCHEMBL1704521 | 0.79 | ABL1 (0.62) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL10806869 | 0.78 | PTGS2 (0.50) | PTGS2PTGS1DRD1 | |
| SCHEMBL7610761 | 0.77 | ABL1 (0.60) | ABL1ABCB1BCRPTGS2HDAC4 | |
| SCHEMBL27635813 | 0.76 | PTGS2 (0.52) | PTGS2MAPTPTGS1DRD1 | |
| SCHEMBL7447151 | 0.75 | NCOA1 (0.59) | ABL1ABCB1BCRPTGS2HDAC4 | |
| SCHEMBL4665445 | 0.75 | CA2 (0.57) | PTGS2MAPTNPC1TP53RAB9A |
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-6080833-A | BIS(HYDROXYALKOXYLATED) 1,1'-SPIROBIINDAN POLYCARBONATES AND POLYESTERS POLYMERS AND CURABLE COMPOUNDS SUCH AS BIS(ACRYLATED ALKOXY)SPIROBIINDANS; ALSO POLYAMIDES AND POLYIMIDES CONTAINING SPIROBIINDAN GROUPS | MITSUI CHEMICALS, INC. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0822545-A2 | Optical component and spirobiindan polymer therefor | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1998-02-04 | — | — | EP | disclosed |