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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9290869 | 0.98 | CA1 (0.43) | CA1CA2CA12CA9PRMT3 | |
| Hydrochloric Acid SCHEMBL11302631 | 0.96 | CA1 (0.42) | CA1CA2CA12CA9PRMT3 | |
| SCHEMBL6448534 | 0.85 | TDP1 (0.42) | CYP2C9CYP2C19DNM1ALDH1A1POLB | |
| SCHEMBL11251841 | 0.84 | CA1 (0.50) | CA1CA2CA12CA9PRMT3 | |
| Bromide SCHEMBL9290866 | 0.83 | HRH4 (0.41) | CYP2C9CYP2C19DNM1ALDH1A1POLB | |
| Bromide SCHEMBL9290763 | 0.82 | HRH4 (0.40) | CYP2C9CYP2C19DNM1ALDH1A1POLB | |
| SCHEMBL27396282 | 0.81 | CA1 (0.41) | CA1CA2CA12CA9PRMT3 | |
| SCHEMBL14289070 | 0.77 | PRMT3 (0.46) | CA1CA2CA12CA9PRMT3 | |
| SCHEMBL9290768 | 0.77 | ALDH1A1 (0.41) | CYP2C19MAPK1ALDH1A1POLBCYP1A2 | |
| SCHEMBL21937254 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659761-B1 | New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same | SIGMA TAU IND FARMACEUTI (IT) | 1998-04-22 | — | — | EP | disclosed |
| EP-0714908-B1 | New 17-(3-imino-2-alkyl-propenyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same | SIGMA TAU IND FARMACEUTI (IT) | 1998-02-25 | — | — | EP | disclosed |
| US-5705662-A | HYPOTENSIVE AGENTS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1998-01-06 | — | — | US | disclosed |
| US-5583127-A | 17-iminomethylalkenyl-5 β, 14 β-androstane and 17-iminoalkyl-5 β, 14 β-androstane derivatives active on the cardiovascular system, and pharmaceutical compositions containing same | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1996-12-10 | — | — | US | disclosed |
| US-5538960-A | Hydrazono-5β, 14β-androstane derivatives active on the cardiovascular system, and pharmaceutical compositions containing same | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1996-07-23 | — | — | US | disclosed |
| EP-0714908-A2 | New 17-(3-imino-2-alkyl-propenyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1996-06-05 | — | — | EP | disclosed |
| EP-0659761-A2 | New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1995-06-28 | — | — | EP | disclosed |
| EP-0583606-A2 | New hydrazono-5-beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1994-02-23 | — | — | EP | disclosed |
| US-4258181-A | BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-03-24 | — | — | US | disclosed |