Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2854034 | 0.83 | ALDH1A1 (0.37) | ALDH1A1HCAR2KDM4ETDP1SLC1A3 | |
| SCHEMBL2849986 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HCAR2KDM4ETDP1SLC1A3 | |
| SCHEMBL2855445 | 0.81 | GRIK1 (0.42) | ALDH1A1HCAR2TDP1KMT2A | |
| SCHEMBL4388299 | 0.78 | CYP3A4 (0.44) | ALDH1A1HCAR2KDM4ETDP1MEN1 | |
| SCHEMBL4248332 | 0.78 | GPR52 (0.42) | MEN1KMT2A | |
| SCHEMBL2856443 | 0.76 | MEN1 (0.47) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL7297836 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HCAR2TDP1SLC1A3SLC1A2 | |
| SCHEMBL2851833 | 0.75 | ABCB1 (0.41) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL13174241 | 0.75 | CTSB (0.46) | ALDH1A1CTSBSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1913624 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CTSBSLC1A3SLC1A2SLC1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651596-B1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INST NAT SANTE RECH MED (FR) | 2010-01-13 | — | — | EP | disclosed |
| US-7582797-B2 | Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same | INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2009-09-01 | — | — | US | disclosed |
| US-20060205695-A1 | Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same | INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) | 2006-09-14 | — | — | US | disclosed |
| EP-1651596-A1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014535-A1 | NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2005-02-17 | — | — | WO | 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-20060205695-A1 | Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same | AGTR1, AGTR2, AGT | ALDH1A1 224/4885HCAR2 1284/4885CTSB 4181/4885 |
“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.