Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Isosulfan Blue Inner Salt. 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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.64 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.64 |
| ▸ | NSD2 | O96028 | 1/20 | 0.61 |
| ▸ | G6PD | P11413 | 1/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.61 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.59 |
| ▸ | THRB | P10828 | 4/20 | 0.59 |
| ▸ | RECQL | P46063 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | APEX1 | P27695 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Isosulfan Blue Inner Salt SCHEMBL866914 | 0.99 | HSP90AA1 (0.66) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Isosulfan Blue Inner Salt SCHEMBL30876833 | 0.99 | HSP90AA1 (0.66) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Isosulfan Blue Inner Salt SCHEMBL31244567 | 0.98 | HSP90AA1 (0.64) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Isosulfan Blue Inner Salt SCHEMBL180549 | 0.93 | HSP90AA1 (0.66) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Isosulfan Blue Inner Salt SCHEMBL30876834 | 0.93 | HSP90AA1 (0.66) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Water SCHEMBL185743 | 0.92 | HSP90AA1 (0.64) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| Water SCHEMBL5921888 | 0.91 | HSP90AA1 (0.63) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| SCHEMBL4813305 | 0.91 | HSP90AA1 (0.66) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| SCHEMBL29499146 | 0.90 | HSP90AA1 (0.64) | HSP90AA1TLR9NSD2G6PDCDK5 | |
| SCHEMBL25506709 | 0.89 | HSP90AA1 (0.62) | HSP90AA1TLR9NSD2G6PDCDK5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220289671-A1 | METHOD FOR THE PREPARATION OF DIARYLMETHANE DYES AND TRIARYLMETHANE DYES INCLUDING ISOSULFAN BLUE | NJ BIOPHARMACEUTICALS LLC (US) | 2022-09-15 | — | — | US | disclosed |
| EP-3997066-A1 | METHOD FOR THE PREPARATION OF DIARYLMETHANE DYES AND TRIARYLMETHANE DYES INCLUDING ISOSULFAN BLUE | NJ Biopharmaceuticals LLC (US) | 2022-05-18 | — | — | EP | 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-20220289671-A1 | METHOD FOR THE PREPARATION OF DIARYLMETHANE DYES AND TRIARYLMETHANE DYES INCLUDING ISOSULFAN BLUE | TST, DDT, CYP2E1 | HSP90AA1 4633/4885TLR9 1312/4885NSD2 2071/4885 |
“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.