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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063110 | 0.98 | NPC1 (0.52) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| SCHEMBL4628399 | 0.81 | ALDH1A1 (0.53) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL4627421 | 0.77 | PLK1 (0.61) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL3069836 | 0.76 | ALDH1A1 (0.55) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| SCHEMBL6933112 | 0.76 | ALDH1A1 (0.57) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| SCHEMBL10549364 | 0.76 | ALDH1A1 (0.58) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| Iodide SCHEMBL10424216 | 0.75 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| Iodide SCHEMBL10424215 | 0.75 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| SCHEMBL76489 | 0.75 | ALDH1A1 (0.67) | NPC1RAB9AKMT2AMEN1EPHX1 | |
| SCHEMBL11674215 | 0.74 | SMN1; SMN2 (0.57) | NPC1RAB9AKMT2AMEN1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050004092-A1 | Penem derivatives and antimicrobial agent containing the same | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2005-01-06 | — | — | US | disclosed |
| EP-0757051-B1 | PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME | DAIICHI SUNTORY PHARMA CO LTD (JP) | 2003-10-29 | — | — | EP | disclosed |
| EP-0757051-A1 | PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME | SUNTORY LIMITED (JP) | 1997-02-05 | — | — | EP | disclosed |
| US-4374839-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-02-22 | — | — | US | disclosed |
| US-4282224-A | ANTIHISTAMINE, RECEPTOR BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-08-04 | — | — | US | disclosed |
| US-4269844-A | HISTAMINE ANTAGONIST; ANTISECRETORY, ANTIINFLAMMATORY, AND HYPOTENSIVE AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-05-26 | — | — | US | disclosed |
| US-4219553-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-08-26 | — | — | US | disclosed |
| US-4210652-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-07-01 | — | — | US | disclosed |
| US-4139624-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-02-13 | — | — | 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 (1 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050004092-A1 | Penem derivatives and antimicrobial agent containing the same | MRPL21, MRPS2, MRPS28 | NPC1 3232/4885RAB9A 2939/4885KMT2A 2222/4885 |
“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.