Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11172866 | 0.78 | CXCR3 (0.52) | IDO1CYP3A4CXCR3APPCYP1A2 | |
| SCHEMBL17065246 | 0.76 | THRB (0.59) | IDO1THRBNOS1NOS2CYP3A4 | |
| SCHEMBL6895044 | 0.76 | THRB (0.59) | IDO1THRBNOS1NOS2CA1 | |
| SCHEMBL21340678 | 0.75 | SIGMAR1 (0.40) | IDO1CYP3A4APPCYP1A2CYP2D6 | |
| SCHEMBL11619172 | 0.74 | IDO1 (0.56) | IDO1CYP3A4CXCR3APPCYP1A2 | |
| SCHEMBL7754741 | 0.74 | THRB (0.56) | IDO1THRBNOS1NOS2CYP3A4 | |
| SCHEMBL6979704 | 0.74 | IDO1 (0.56) | IDO1THRBNOS1NOS2CYP1A2 | |
| Hydrochloric Acid SCHEMBL17065240 | 0.74 | THRB (0.56) | IDO1THRBNOS1NOS2CYP3A4 | |
| SCHEMBL1505831 | 0.74 | MEN1 (0.58) | IDO1THRBNOS1NOS2 | |
| SCHEMBL12976226 | 0.74 | THRB (0.56) | IDO1THRBNOS1NOS2CYP1A2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040110729-A1 | Primary N-hydroxylamines | NIH | 2004-06-10 | — | — | US | claimed |
| US-6455589-B1 | AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-09-24 | — | — | US | claimed |
| CN-101006065-B | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS INC | 2012-07-11 | — | — | CN | disclosed |
| EP-1768966-B1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2012-03-07 | — | — | EP | disclosed |
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-20080268537-A1 | PRIMARY N-HYDROXYLAMINES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-10-30 | — | — | US | disclosed |
| EP-1768966-A1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | Infinity Pharmaceuticals, Inc. (US) | 2007-04-04 | — | — | EP | disclosed |
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-20060025460-A1 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2006-02-02 | — | — | US | disclosed |
| WO-2006009869-A1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | WO | disclosed |
| US-20060020004-A1 | Isoxazolidine compounds for treatment of bacterial infections | INFINITY PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | US | disclosed |
| WO-2006009907-A2 | ISOXAZOLIDINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | INFINITY PHARMACEUTICALS, INC. (US) | 2006-01-26 | — | — | WO | disclosed |
| US-6455589-B1 | AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-09-24 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-1998016830-A9 | DROPLET ASSAY SYSTEM | — | 1998-08-13 | — | — | WO | 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-20060020004-A1 | Isoxazolidine compounds for treatment of bacterial infections | QDPR, NQO2, SQLE | IDO1 5/4885THRB 4549/4885NOS1 2214/4885 |
| US-20060025460-A1 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | BCL3, BCL2, BCLAF1 | IDO1 3663/4885THRB 4074/4885NOS1 3409/4885 |
“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.