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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL706694 | 0.98 | LTA4H (0.45) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL28000380 | 0.88 | LTA4H (0.42) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL28000546 | 0.86 | LTA4H (0.41) | LTA4H | |
| SCHEMBL18568777 | 0.85 | CYP2E1 (0.43) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL28000378 | 0.84 | LTA4H (0.42) | LTA4H | |
| SCHEMBL6565066 | 0.82 | TAAR1 (0.50) | CYP2A6TAAR1 | |
| SCHEMBL18469853 | 0.80 | LTA4H (0.37) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL26625918 | 0.80 | LTA4H (0.73) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL5728736 | 0.79 | CYP2A6 (0.71) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Iodide SCHEMBL29574376 | 0.77 | LTA4H (0.65) | LTA4HCYP2E1CYP3A4CYP2A6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1122291-B1 | Layered organic-inorganic perovskites having metal-deficient inorganic frameworks | IBM (US) | 2012-09-12 | — | — | EP | claimed |
| US-6429318-B1 | METAL HALIDE LAYER AND HYDROGEN HALIDE SALT OF ORGANIC DIAMINE ARE CONTACTED; SALT FORMATION, SUPERSATURATION, PRECIPITATION | INTERNATIONAL BUSINESS MACHINES CORPORAITON | 2002-08-06 | — | — | US | claimed |
| EP-1122291-B1 | Layered organic-inorganic perovskites having metal-deficient inorganic frameworks | IBM (US) | 2012-09-12 | — | — | EP | disclosed |
| US-6429318-B1 | METAL HALIDE LAYER AND HYDROGEN HALIDE SALT OF ORGANIC DIAMINE ARE CONTACTED; SALT FORMATION, SUPERSATURATION, PRECIPITATION | INTERNATIONAL BUSINESS MACHINES CORPORAITON | 2002-08-06 | — | — | US | disclosed |
| EP-1122291-A2 | Layered organic-inorganic perovskites having metal-deficient inorganic frameworks | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2001-08-08 | — | — | EP | disclosed |