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 | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9780273 | 0.98 | BRD4 (0.42) | BRD4GAAHTR2CHTR2BMCOLN3 | |
| SCHEMBL9780319 | 0.81 | RAB9A (0.57) | BRD4ALDH1A1PKMRAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL9780231 | 0.80 | RAB9A (0.60) | BRD4ALDH1A1PKMRAB9APOLB | |
| SCHEMBL9780225 | 0.78 | HTR2C (0.55) | BRD4GAAHTR2CHTR2BALDH1A1 | |
| SCHEMBL9780219 | 0.77 | L3MBTL1 (0.46) | GAAHTR2CHTR2BMCOLN3ALDH1A1 | |
| SCHEMBL16026507 | 0.72 | ATM (0.58) | PKMRAB9AKDM4ELMNAPOLB | |
| Hydrochloric Acid SCHEMBL9780304 | 0.71 | AKR1C3 (0.43) | GAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9780205 | 0.67 | KMT2A (0.49) | GAAALDH1A1PKMMAPTHSD17B10 | |
| Sulfuric Acid SCHEMBL19149045 | 0.65 | METAP1 (0.56) | GAAPKMMAPTRAB9ANPC1 | |
| SCHEMBL2113354 | 0.65 | USP2 (0.69) | GAAALDH1A1PKMLMNAPOLB |
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-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | claimed |
| US-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | disclosed |