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 | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.39 |
| ▸ | HTR5A | P47898 | 5/20 | 0.39 |
| ▸ | BRD4 | O60885 | 4/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12629401 | 0.98 | PDK2 (0.41) | PDK2PDK4CREBBPHTR5ABRD4 | |
| SCHEMBL1316216 | 0.98 | PDK2 (0.41) | PDK2PDK4CREBBPHTR5ABRD4 | |
| SCHEMBL5039176 | 0.78 | GAA (0.46) | PDK2PDK4CREBBPHTR5ABRD4 | |
| Hexanoate SCHEMBL2686222 | 0.76 | AKR1B1 (0.42) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL5039213 | 0.76 | GAA (0.43) | PDK2PDK4CREBBPHTR5ABRD4 | |
| SCHEMBL11326119 | 0.73 | AR (0.39) | CREBBPHTR5ABRD4SMN1; SMN2AR | |
| SCHEMBL9379211 | 0.73 | PDK2 (0.39) | PDK2PDK4CREBBPBRD4EP300 | |
| SCHEMBL5460910 | 0.73 | AR (0.47) | AR | |
| SCHEMBL15587865 | 0.72 | PDK2 (0.41) | PDK2PDK4HTR5AALDH1A1HSD17B10 | |
| SCHEMBL22423659 | 0.72 | CREBBP (0.40) | PDK2PDK4CREBBPHTR5ABRD4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640605-B1 | SPIROPYRAN COMPOUND, OPTICALLY ACTIVE SPIROPYRAN COMPOUND, AND USE THEREOF | OTSUKA KAGAKU KK (JP) | 2002-06-12 | — | — | EP | disclosed |
| EP-0529100-B1 | INDOLINOSPIROBENZOPYRAN DERIVATIVE | OTSUKA KAGAKU KK (JP) | 1998-11-11 | — | — | EP | disclosed |
| EP-0530369-B1 | CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF | OTSUKA KAGAKU KK (JP) | 1997-02-05 | — | — | EP | disclosed |
| EP-0530371-B1 | TRANSITION METAL-SPIROBENZOPYRAN COMPLEX, PRODUCTION THEREOF, AND PHOTOCHROMIC MATERIAL COMPRISING THE SAME | OTSUKA KAGAKU KK (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5521269-A | Spiropyran compounds and optically active spiropyran compounds and their use | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1996-05-28 | — | — | US | disclosed |
| US-5403702-A | Crystals consisting of an indolinospirobenzopyran derivative | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-04-04 | — | — | US | disclosed |
| EP-0640605-A1 | SPIROPYRAN COMPOUND, OPTICALLY ACTIVE SPIROPYRAN COMPOUND, AND USE THEREOF | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-03-01 | — | — | EP | disclosed |
| US-5320784-A | Crystal comprising an indolinospirobenzothiopyran derivative and its ring opened isomer | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1994-06-14 | — | — | US | disclosed |
| US-5288592-A | Transition metal-spirobenzopyran complex, a production process therefor and a photochromic material comprising the complex | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1994-02-22 | — | — | US | disclosed |
| EP-0530369-A1 | CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0530371-A1 | TRANSITION METAL-SPIROBENZOPYRAN COMPLEX, PRODUCTION THEREOF, AND PHOTOCHROMIC MATERIAL COMPRISING THE SAME | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0529100-A1 | INDOLINOSPIROBENZOPYRAN DERIVATIVE | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1993-03-03 | — | — | EP | disclosed |