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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1471045 | 0.99 | NPC1 (0.42) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL129138 | 0.91 | TERT (0.44) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1470927 | 0.91 | POLB (0.40) | NPC1RAB9AMEN1KMT2APOLB | |
| Bromide SCHEMBL5791833 | 0.90 | TERT (0.43) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1470928 | 0.89 | POLB (0.40) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1470324 | 0.88 | TERT (0.51) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1470285 | 0.87 | PSMB5 (0.42) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1470298 | 0.87 | TERT (0.39) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL1470931 | 0.87 | TERT (0.53) | NPC1RAB9AMEN1KMT2APOLB | |
| Iodide SCHEMBL1472479 | 0.86 | TERT (0.38) | NPC1RAB9AMEN1KMT2APOLB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120302557-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | PHOTOPHARMICA LIMITED (GB) | 2012-11-29 | — | — | US | disclosed |
| US-8188074-B2 | Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy | PHOTOPHARMICA LIMITED (GB) | 2012-05-29 | — | — | US | disclosed |
| US-7915254-B2 | Photosensitizers for photodynamic therapy; killing tissue, cells; anticancer agents | PHOTOPHARMICA LIMITED (GB) | 2011-03-29 | — | — | US | disclosed |
| US-7855197-B2 | Biologically active methylene blue derivatives | PHOTOPHARMICA LIMITED (GB) | 2010-12-21 | — | — | US | disclosed |
| US-7732439-B2 | Biologically active methylene blue derivatives | PHOTOPHARMICA LIMITED (GB) | 2010-06-08 | — | — | US | disclosed |
| US-20080312219-A1 | Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy | PHOTOPHARMICA LIMITED (GB) | 2008-12-18 | — | — | US | disclosed |
| US-20080275033-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | PHOTOPHARMICA LIMITED (GB) | 2008-11-06 | — | — | US | disclosed |
| US-20080268033-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | PHOTOPHARMICA LIMITED (GB) | 2008-10-30 | — | — | US | disclosed |
| US-20080261960-A1 | Biologically active methylene blue derivatives | PHOTOPHARMICA LIMITED (GB) | 2008-10-23 | — | — | US | disclosed |
| US-7371744-B2 | Photosensitizers for photodynamic therapy; killing tissue, cells; anticancer agents | PHOTOPHARMICA LIMITED (GB) | 2008-05-13 | — | — | US | disclosed |
| EP-1687286-A1 | DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) | Photopharmica Limited (GB) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005054217-A1 | DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) | PHOTOPHARMICA LIMITED (GB) | 2005-06-16 | — | — | WO | disclosed |
| US-20040147508-A1 | Biologically active methylene blue derivatives | PHOTOPHARMICA LIMITED | 2004-07-29 | — | — | 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 (6 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-20080261960-A1 | Biologically active methylene blue derivatives | XPA, XPOT, XPO7 | ACHE 4086/4885NPC1 2816/4885RAB9A 2860/4885 |
| US-20120302557-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | NR2E3, NR1I3, NR0B2 | ACHE 4389/4885NPC1 2549/4885RAB9A 4115/4885 |
| US-20040147508-A1 | Biologically active methylene blue derivatives | HCCS, CYBA, HMBS | ACHE 4014/4885NPC1 2415/4885RAB9A 4168/4885 |
| US-20080268033-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | XPA, XPOT, XPO4 | ACHE 4552/4885NPC1 2550/4885RAB9A 3427/4885 |
| US-20080312219-A1 | Diamino-substituted phenothiazinium compound; antimicrobial photosensitisers effective against Gram negative bacteria, Gram positive bacteria; photodynamic therapy | XPA, XPOT, XPO4 | ACHE 4679/4885NPC1 3676/4885RAB9A 3455/4885 |
| US-20080275033-A1 | BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES | XPA, XPO7, XPO4 | ACHE 2403/4885NPC1 3878/4885RAB9A 2720/4885 |
“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.