Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 10/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | NAAA | Q02083 | 1/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
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 | 0.83 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL11033045 | 0.77 | LOXL2 (0.41) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.76 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL8763362 | 0.76 | MIF (0.68) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.76 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL1027113 | 0.75 | MIF (0.59) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28130423 | 0.74 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL2143472 | 0.74 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Bromide SCHEMBL2337339 | 0.74 | MIF (0.57) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL4780073 | 0.73 | MIF (0.63) | 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520309-B | N- substitution second generation derivatives of antifungal antibiotic amphotericin B and its preparation method and application | 布里特股份公司 | 2018-05-04 | — | — | CN | disclosed |
| US-9745335-B2 | N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application | BLIRT S.A. (PL) | 2017-08-29 | — | — | 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-9586907-B2 | Isothiocyanate compounds, pharmaceutical compositions, and uses thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-03-07 | — | — | US | disclosed |
| US-20150291648-A1 | N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION | BLIRT S.A. (PL) | 2015-10-15 | — | — | 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 |
| EP-2861610-A1 | N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION | Blirt S.A. (PL) | 2015-04-22 | — | — | EP | 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-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-0199400-B1 | Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-09-26 | — | — | EP | disclosed |
| US-4826848-A | Antidepressive substituted N-[(4-piperidinyl)alkyl] bicyclic condensed oxazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-02 | — | — | US | disclosed |
| US-4749702-A | PARKINSON*S DISEASE, ENTEROKINESIA | JANSSEN PHARMACEUTICA N. V. (BE) | 1988-06-07 | — | — | US | disclosed |
| US-4689330-A | PARKINSON DISEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-08-25 | — | — | US | disclosed |
| CN-86102349-A | Preparation N-[(4-piperidyl) alkyl] the bicyclic condensed azoles that replaces and the method for thiazole amine | — | 1986-11-19 | — | — | CN | disclosed |
| EP-0199400-A2 | Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-29 | — | — | 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 (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-20150291648-A1 | N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION | ERG28, LSS, NPC1 | MIF 4172/4885TRPA1 4388/4885ALDH1A1 4308/4885 |
| 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.