Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.34 |
| ▸ | HEXA | P06865 | 1/20 | 0.34 |
| ▸ | HEXB | P07686 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17490676 | 0.82 | CYP11B1 (0.35) | XPO1GRM2CYP11B1CYP11B2ADRB2 | |
| SCHEMBL17477208 | 0.81 | NOTUM (0.37) | XPO1GRM2CYP11B1CYP11B2ADRB2 | |
| SCHEMBL22035531 | 0.81 | GABRP (0.47) | HEXAHEXBCRHR1CFTRCACNA1C | |
| SCHEMBL21419162 | 0.78 | HEXA (0.35) | XPO1HEXAHEXBCRHR1CFTR | |
| SCHEMBL20303651 | 0.78 | NOTUM (0.37) | XPO1GRM2CYP11B1CYP11B2ADRB2 | |
| SCHEMBL20303765 | 0.78 | XPO1 (0.33) | XPO1GRM2CYP11B1CYP11B2ADRB2 | |
| SCHEMBL25702915 | 0.76 | CYP1A2 (0.43) | XPO1HEXAHEXBCRHR1CFTR | |
| SCHEMBL8136453 | 0.75 | ALDH1A1 (0.42) | GRM2 | |
| SCHEMBL28001487 | 0.75 | RXRA (0.43) | XPO1AKR1C3AKR1C2HTT | |
| SCHEMBL857395 | 0.75 | HDAC3 (0.40) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-B1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2021-06-02 | — | — | EP | disclosed |
| US-8895580-B2 | Quinolinone-pyrazolone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-11-25 | — | — | US | disclosed |
| US-20120196845-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-08-02 | — | — | US | disclosed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100331348-A1 | TROPANE DERIVATIVES USEFUL AS PESTICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | disclosed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | disclosed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | 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-20120196845-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, OPRL1, CHRNA5 | XPO1 1392/4885GRM2 119/4885HEXA 4005/4885 |
| US-20100331348-A1 | TROPANE DERIVATIVES USEFUL AS PESTICIDES | DDT, ACHE, TPM3 | XPO1 3571/4885GRM2 628/4885HEXA 2727/4885 |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | CXCR4, CXCR1, CXCR3 | XPO1 680/4885GRM2 1371/4885HEXA 1208/4885 |
“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.