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Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL10724109

C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](CC(=O)O)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-].[I-].[I-]

nearest known ligand 0.67

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 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.67
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 4/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL10724093 0.99 TERT (0.68) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10730446 0.88 TERT (0.64) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10724268 0.88 TERT (0.67) TERTTOP1CYCSABCG2ENPP2
Iodide SCHEMBL10896392 0.88 TERT (0.60) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10894063 0.87 TERT (0.65) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10726817 0.86 TERT (0.61) TERTTOP1CYCSABCG2ENPP2
Bromide SCHEMBL10724907 0.84 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
SCHEMBL10729176 0.84 TERT (0.61) TERTTOP1CYCSABCG2ENPP2
Tmpyp4 SCHEMBL265519 0.83 TERT (0.97) TERTTOP1CYCSABCG2ENPP2
Tmpyp4 SCHEMBL29369473 0.81 TERT (1.00) TERTTOP1CYCSABCG2ENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127797-B1 LABELLED MOLECULES FOR FLUORESCENCE IMMUNOASSAYS AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-06-16 — — EP claimed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US claimed
US-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US disclosed
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