Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 13/20 | 0.43 |
| ▸ | MIF | P14174 | 7/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | BACH1 | O14867 | 1/20 | 0.36 |
| ▸ | MAFK | O60675 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20198780 | 0.79 | — | — | |
| SCHEMBL483904 | 0.78 | — | — | |
| SCHEMBL17049998 | 0.77 | TRPA1 (0.37) | TRPA1MIFNAAACYP2E1CYP2A6 | |
| SCHEMBL6952064 | 0.72 | NAAA (0.41) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL9687875 | 0.70 | TRPA1 (0.37) | TRPA1MIFNAAA | |
| SCHEMBL1233523 | 0.69 | NAAA (0.74) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL6697263 | 0.69 | NAAA (0.74) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL27170957 | 0.69 | NAAA (0.74) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL7133119 | 0.69 | NAAA (0.74) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL28220626 | 0.69 | — | — |
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-8859798-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-14 | — | — | US | disclosed |
| US-20090291989-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2009-11-26 | — | — | 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-20090291989-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | TST, TREH, NFATC1 | TRPA1 93/4885MIF 545/4885NAAA 861/4885 |
“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.