Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | BACE1 | P56817 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.50 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7945687 | 0.98 | CYP1A2 (0.62) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL29502790 | 0.78 | CYP1A2 (1.00) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL89010 | 0.78 | CYP1A2 (1.00) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL1088580 | 0.78 | CYP1A2 (0.69) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| Hydrochloric Acid SCHEMBL11674460 | 0.77 | CYP1A2 (0.96) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL12997893 | 0.75 | CYP1A2 (0.64) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL377555 | 0.75 | CYP1A2 (0.64) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL22196103 | 0.75 | CYP1A2 (0.64) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL3094768 | 0.75 | BACE1 (1.00) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| Iodide SCHEMBL4544205 | 0.75 | CYP1A2 (0.64) | CYP1A2BACE1KDM4EL3MBTL1MAPT |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0677045-B1 | CATALYTIC OXIDATION PROCESS OF THIOLS | MONSANTO CO (US) | 1999-02-10 | — | — | EP | claimed |
| EP-0677045-A1 | CATALYTIC OXIDATION PROCESS | MONSANTO COMPANY (US) | 1995-10-18 | — | — | EP | claimed |
| WO-1994015927-A1 | CATALYTIC OXIDATION PROCESS | MONSANTO COMPANY (US) | 1994-07-21 | — | — | WO | claimed |
| US-11382894-B2 | Pharmaceutical compositions for use in the treatment of cardiovascular calcification | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2022-07-12 | — | — | US | disclosed |
| US-20210113527-A1 | PHARMACEUTICAL COMPOSITIONS FOR USE IN THE TREATMENT OF CARDIOVASCULAR CALCIFICATION | UNIVERSITE DE ROUEN NORMANDIE (FR) | 2021-04-22 | — | — | US | disclosed |
| US-8399447-B2 | Metal triangulo compound and methods of using the same | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2013-03-19 | — | — | US | disclosed |
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| US-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE | 2010-08-19 | — | — | US | disclosed |
| EP-2147005-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | National University of Singapore (SG) | 2010-01-27 | — | — | EP | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008127197-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-10-23 | — | — | WO | disclosed |
| EP-0677045-B1 | CATALYTIC OXIDATION PROCESS OF THIOLS | MONSANTO CO (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0677045-A1 | CATALYTIC OXIDATION PROCESS | MONSANTO COMPANY (US) | 1995-10-18 | — | — | EP | disclosed |
| EP-0417057-B1 | Heterocyclic thiol-based sulfenimide compounds and rubber compositions containing them | MONSANTO CO (US) | 1995-03-01 | — | — | EP | disclosed |
| WO-1994015927-A1 | CATALYTIC OXIDATION PROCESS | MONSANTO COMPANY (US) | 1994-07-21 | — | — | WO | disclosed |
| US-5260454-A | Cure accelerator for natural and synthetic rubber; imroved cure rate, longer scorch delay | MONSANTO COMPANY (US) | 1993-11-09 | — | — | US | disclosed |
| US-5189174-A | Rubber curing agent | MONSANTO COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| US-5079305-A | Improved cure rate, scorch delay and reversion resistance | MONSANTO COMPANY (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0417057-A2 | Heterocyclic thiol-based sulfenimide compounds and rubber compositions containing them | MONSANTO COMPANY (US) | 1991-03-13 | — | — | 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 (3 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-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | CASP3, BAX, CASP7 | CYP1A2 2659/4885BACE1 1188/4885KDM4E 3090/4885 |
| US-11382894-B2 | Pharmaceutical compositions for use in the treatment of cardiovascular calcification | EPHX1, NCEH1, EPHX2 | CYP1A2 1989/4885BACE1 557/4885KDM4E 1262/4885 |
| US-20210113527-A1 | PHARMACEUTICAL COMPOSITIONS FOR USE IN THE TREATMENT OF CARDIOVASCULAR CALCIFICATION | EPHX1, NCEH1, ENPP1 | CYP1A2 2729/4885BACE1 873/4885KDM4E 1433/4885 |
“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.