Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 15/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13623244 | 0.88 | MIF (0.61) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL2341886 | 0.79 | MIF (0.62) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL459297 | 0.79 | PGK1 (0.40) | CYP3A4PGK1PGK2GRIN2B | |
| SCHEMBL1706732 | 0.77 | MIF (0.63) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL483536 | 0.74 | MIF (0.74) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL28709411 | 0.74 | MIF (0.52) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL27705400 | 0.74 | PGK1 (0.35) | ALDH1A1CYP3A4PGK1PGK2GRIN2B | |
| SCHEMBL10432077 | 0.73 | MIF (0.66) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL5788512 | 0.72 | MIF (0.52) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL2141861 | 0.72 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD |
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-9586907-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-03-07 | — | — | US | disclosed |
| US-20150246887-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2015-09-03 | — | — | 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-20150246887-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | TST, TREH, NFATC1 | MIF 545/4885TRPA1 93/4885ALDH1A1 1832/4885 |
“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.