Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 5/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2337339 | 0.98 | MIF (0.57) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL16167770 | 0.81 | MIF (0.61) | MIFTRPA1CHRNA7CYP2A6TDP1 | |
| SCHEMBL856127 | 0.81 | CHRNB2 (0.48) | CYP3A4CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL30142989 | 0.81 | CHRNB2 (0.48) | CYP3A4CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL3936550 | 0.79 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL18595398 | 0.78 | NAAA (0.43) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.74 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.74 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL8404150 | 0.74 | CHRNB2 (0.52) | ALDH1A1CYP1A2CYP2D6CHRNA7CHRNB2 | |
| SCHEMBL19291936 | 0.74 | — | — |
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 37 patents — showing the first 20. 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 |
| CN-102076671-B | Triazole derivative or salt thereof | ASTELLAS PHARMA INC | 2013-05-15 | — | — | CN | disclosed |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20030229077-A1 | Nitrogen-containing heterocyclic compounds | MATSUNO KENJI (JP) | 2003-12-11 | — | — | US | disclosed |
| US-6472391-B2 | INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. | MILLENNIUM PHARMACEUTICALS, INC. | 2002-10-29 | — | — | US | disclosed |
| US-6423716-B1 | Nitrogenous heterocyclic compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2002-07-23 | — | — | US | disclosed |
| US-20020068734-A1 | Nitrogen-containing heterocyclic compounds | MILLENNIUM PHARMACEUTICALS, INC. | 2002-06-06 | — | — | US | disclosed |
| US-6207667-B1 | USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2001-03-27 | — | — | US | disclosed |
| US-6169088-B1 | FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| CN-1208404-A | Nitrogenous heterocyclic compounds | KYOWA HAKKO KOGYO KK (JP) | 1999-02-17 | — | — | CN | disclosed |
| EP-0882717-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1998-12-09 | — | — | EP | disclosed |
| EP-0509769-B1 | Heterocyclic amides having HLE inhibiting activity | ZENECA LTD (GB) | 1996-09-11 | — | — | EP | disclosed |
| EP-0509769-A2 | Heterocyclic amides having HLE inhibiting activity | ZENECA LIMITED (GB) | 1992-10-21 | — | — | 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 (4 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-20030229077-A1 | Nitrogen-containing heterocyclic compounds | ERBB4, NPR1, PDGFRB | MIF 2955/4885TRPA1 4470/4885ALDH1A1 3252/4885 |
| US-20020068734-A1 | Nitrogen-containing heterocyclic compounds | PDGFRB, MKI67, PDGFRA | MIF 2941/4885TRPA1 4468/4885ALDH1A1 3314/4885 |
| US-20150246887-A1 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | TST, TREH, NFATC1 | MIF 545/4885TRPA1 93/4885ALDH1A1 1832/4885 |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | GGCT, GSTK1, GSTA1 | MIF 906/4885TRPA1 2349/4885ALDH1A1 896/4885 |
“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.