Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 2/20 | 0.65 |
| ▸ | MIF | P14174 | 14/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2141861 | 0.86 | MIF (0.77) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| SCHEMBL452752 | 0.86 | P2RY6 (0.59) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| SCHEMBL9547731 | 0.79 | P2RY6 (0.74) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| SCHEMBL1193625 | 0.79 | P2RY6 (0.74) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| SCHEMBL1853024 | 0.79 | P2RY6 (1.00) | P2RY6MIFTRPA1CYP3A4CA1 | |
| SCHEMBL8763362 | 0.79 | MIF (0.68) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| SCHEMBL9547715 | 0.79 | P2RY6 (1.00) | P2RY6MIFTRPA1CYP3A4CA1 | |
| SCHEMBL9840376 | 0.79 | P2RY6 (0.73) | P2RY6MIFTRPA1CA1CA2 | |
| SCHEMBL1815294 | 0.78 | MIF (0.71) | P2RY6MIFTRPA1CYP3A4ALDH1A1 | |
| Bitoscanate SCHEMBL157128 | 0.78 | MIF (0.72) | P2RY6MIFCYP3A4ALDH1A1HPGD |
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 8 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-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 |
| US-20150246887-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2015-09-03 | — | — | US | disclosed |
| US-8859798-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-14 | — | — | US | disclosed |
| 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 |
| 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 (2 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 | P2RY6 3871/4885MIF 545/4885TRPA1 93/4885 |
| US-20090291989-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | TST, TREH, NFATC1 | P2RY6 3871/4885MIF 545/4885TRPA1 93/4885 |
“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.