Iodide

Iodide

SCHEMBL598123

OCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

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 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRNA7 P36544 9/20 0.47
TRAP1 Q12931 2/20 0.41
SNCA P37840 2/20 0.37

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.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL14778247 0.98 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Iodide SCHEMBL16935789 0.98 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL28894091 0.96 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL9810148 0.96 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL35210196 0.96 HIF1A (0.58) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL16197577 0.94 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL35210203 0.94 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL2743878 0.94 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL18641785 0.94 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL28887485 0.94 HIF1A (0.56) HIF1AALDH1A1CYP1A2CYP2D6TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609643-B2 2-methylene-(20S,25R)-19,26-dinor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-17 US disclosed
US-8399439-B2 2-methylene-19,26-dinor-(20S,22E,25R)-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-19 US disclosed
US-20120283228-A1 2alpha-Methyl and 2beta-Methyl Analogs of 19,26-Dinor-1alpha,25-Dihydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-08 US disclosed
US-8193170-B2 2-methylene-19,26-dinor-(20R,22E,25R)-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-05 US disclosed
US-8114859-B2 anticarcinogenic agent; arresting the proliferation of undifferentiated cells and inducing their differentiation to the monocyte; inhibiting adipocyte differentiation and stearoyl CoA desaturase (SCD-1) gene transcription; skin disorder, psoriasis, obesity, antiinflammatory agent WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-02-14 US disclosed
US-7947666-B2 2-methylene-(20S,25S)-19,26-dinor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-05-24 US disclosed
US-7803789-B2 Vitamin D analog—RAK, methods and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-09-28 US disclosed
US-7741314-B2 2-Methylene-(20R,25S)-19,27-Dinor-(22E)-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-22 US disclosed
US-20100009946-A1 2-Methylene-19,26-Dinor-(20R,22E,25R)-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US disclosed
US-20100009947-A1 2-Methylene-19,26-Dinor-(20S,22E,25R)-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US disclosed
EP-1984329-B1 VITAMIN D ANALOG - RAK, METHODS AND USES THEREOF WISCONSIN ALUMNI RES FOUND (US) 2009-12-09 EP disclosed
US-20090170821-A1 2-Methylene-(20S,25S)-19,26-Dinor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-07-02 US disclosed
US-20090170820-A1 2-Methylene-(20S,25R)-19,26-Dinor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-07-02 US disclosed
EP-2069297-A1 2-METHYLENE-(20R,25S)-19,27-DINOR-(22E)-VITAMIN D ANALOGS Wisconsin Alumni Research Foundation (US) 2009-06-17 EP disclosed
US-7528122-B2 Vitamin D analog—NEL, methods and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-05 US disclosed
US-20080081799-A1 2-Methylene-(20S,25S)-19,27-Dinor-(22E)-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-04-03 US disclosed
WO-2008039754-A1 2-METHYLENE-(20R,25S)-19,27-DINOR-(22E)-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-04-03 WO disclosed
US-20080081800-A1 2-Methylene-(20R,25S)-19,27-Dinor-(22E)-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-04-03 US disclosed
US-20070191316-A1 VITAMIN D ANALOG - NEL, METHODS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-16 US disclosed
US-20070191317-A1 VITAMIN D ANALOG - RAK, METHODS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191317-A1 VITAMIN D ANALOG - RAK, METHODS AND USES THEREOF VDR, CYP24A1, CYP2R1 HIF1A 1579/4885ALDH1A1 675/4885CYP1A2 274/4885
US-20090170820-A1 2-Methylene-(20S,25R)-19,26-Dinor-Vitamin D Analogs CYP24A1, VDR, CYP27B1 HIF1A 2003/4885ALDH1A1 1471/4885CYP1A2 2751/4885
US-20100009946-A1 2-Methylene-19,26-Dinor-(20R,22E,25R)-Vitamin D Analogs VDR, CYP24A1, CYP27B1 HIF1A 1795/4885ALDH1A1 2854/4885CYP1A2 3564/4885
US-20090170821-A1 2-Methylene-(20S,25S)-19,26-Dinor-Vitamin D Analogs CYP24A1, VDR, CYP27B1 HIF1A 1971/4885ALDH1A1 1410/4885CYP1A2 2617/4885
US-20080081799-A1 2-Methylene-(20S,25S)-19,27-Dinor-(22E)-Vitamin D Analogs CYP24A1, CYP27B1, VDR HIF1A 2225/4885ALDH1A1 1527/4885CYP1A2 2547/4885
US-20080081800-A1 2-Methylene-(20R,25S)-19,27-Dinor-(22E)-Vitamin D Analogs CYP24A1, VDR, CYP2R1 HIF1A 2281/4885ALDH1A1 1581/4885CYP1A2 2537/4885
US-20070191316-A1 VITAMIN D ANALOG - NEL, METHODS AND USES THEREOF VDR, CYP24A1, CYP2R1 HIF1A 2230/4885ALDH1A1 752/4885CYP1A2 446/4885
US-20120283228-A1 2alpha-Methyl and 2beta-Methyl Analogs of 19,26-Dinor-1alpha,25-Dihydroxyvitamin D3 and Their Uses CYP24A1, VDR, CYP27B1 HIF1A 1084/4885ALDH1A1 2409/4885CYP1A2 2545/4885
US-20100009947-A1 2-Methylene-19,26-Dinor-(20S,22E,25R)-Vitamin D Analogs CYP24A1, VDR, CYP27B1 HIF1A 2133/4885ALDH1A1 2856/4885CYP1A2 3313/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.