Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 6/20 | 1.00 |
| ▸ | NAAA | Q02083 | 7/20 | 0.85 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.77 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.77 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.77 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.77 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Phenylbutyl Isothiocyanate SCHEMBL1526828 | 0.94 | MIF (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL17274357 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL17274355 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL17274466 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| Phenylhexyl Isothiocyanate SCHEMBL7809 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL17274428 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL9493211 | 0.92 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL331147 | 0.89 | MIF (0.80) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| Phenethylisothiocyanate SCHEMBL156960 | 0.87 | MIF (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| Phenethylisothiocyanate SCHEMBL27616786 | 0.87 | MIF (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 |
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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118873488-A | Coacervate and method for the production and use thereof | 海诺生物科技有限公司 | 2024-11-01 | — | — | CN | claimed |
| CN-115429785-A | Composition for improving bioavailability and treatment effect of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2022-12-06 | — | — | CN | claimed |
| EP-3681476-B1 | TRANSDERMAL FORMULATIONS | TYME INC (US) | 2022-09-14 | — | — | EP | claimed |
| CN-104173272-B | Sustained-release preparation of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-07-06 | — | — | CN | claimed |
| CN-104117064-B | Combined application of isothiocyanate compounds and hormone drugs | 无锡杰西医药股份有限公司 | 2021-02-26 | — | — | CN | claimed |
| US-20200405680-A1 | TRANSDERMAL FORMULATIONS | TYME, INC. (US) | 2020-12-31 | — | — | US | claimed |
| EP-3034076-B1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC WUXI COMPANY INC (CN) | 2020-09-30 | — | — | EP | claimed |
| EP-3681476-A1 | TRANSDERMAL FORMULATIONS | Tyme, Inc. (US) | 2020-07-22 | — | — | EP | claimed |
| CN-111328278-A | Transdermal preparation | 迪美公司 | 2020-06-23 | — | — | CN | claimed |
| CN-110041522-B | Polyethylene glycol-polylysine/isothiocyanate bonding substance and application thereof as drug carrier | 浙江大学 | 2020-05-29 | — | — | CN | claimed |
| WO-2019055747-A1 | TRANSDERMAL FORMULATIONS | TYME, INC. (US) | 2019-03-21 | — | — | WO | claimed |
| US-10010520-B2 | Combined application of isothiocyanate compound and anti-cancer medicine | JC (WUXI) COMPANY, INC. (CN) | 2018-07-03 | — | — | US | claimed |
| CN-106279529-A | A kind of positive osmotic drive liquid for waste water process and preparation method thereof | 中南林业科技大学 | 2017-01-04 | — | — | CN | claimed |
| US-20160250175-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (WUXI) COMPANY, INC. (CN) | 2016-09-01 | — | — | US | claimed |
| EP-3034076-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (Wuxi) COMPANY, Inc. (CN) | 2016-06-22 | — | — | EP | claimed |
| CN-104502478-B | A kind of arginine assay method based on LC-MS/MS newly | 3D BIOOPTIMA CO., LTD. (CN) | 2016-03-30 | — | — | CN | claimed |
| CN-105267967-A | Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2016-01-27 | — | — | CN | claimed |
| CN-104502478-A | Novel arginine determination method based on LC-MS/MS | 3D BIOOPTIMA CO LTD | 2015-04-08 | — | — | CN | claimed |
| CN-104415332-A | Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2015-03-18 | — | — | CN | claimed |
| CN-104117064-A | Combined application of isothiocyanate compound and hormone medicine | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2014-10-29 | — | — | CN | claimed |
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-20160250175-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | CHUK, KIT, MKI67 | MIF 986/4885NAAA 3936/4885TRPA1 2138/4885 |
| US-10010520-B2 | Combined application of isothiocyanate compound and anti-cancer medicine | CHUK, KIT, MKI67 | MIF 986/4885NAAA 3936/4885TRPA1 2138/4885 |
“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.