Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLOD2 | O00469 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.49 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | GPR6 | P46095 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4587759 | 0.85 | PLOD2 (0.59) | PLOD2CYP1A2CYP2C9CYP2C19PLOD3 | |
| SCHEMBL1349410 | 0.85 | PLOD2 (0.59) | PLOD2PLOD3PLOD1TSHRMEN1 | |
| SCHEMBL1349593 | 0.81 | PLOD2 (0.54) | PLOD2CYP1A2CYP2C9CYP2C19PLOD3 | |
| SCHEMBL1924889 | 0.79 | PLOD2 (0.60) | PLOD2PLOD3PLOD1TAS1R3TAS1R1 | |
| SCHEMBL6169355 | 0.79 | PLOD2 (0.51) | PLOD2CYP1A2CYP2C9CYP2C19PLOD3 | |
| SCHEMBL2075296 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL2797872 | 0.78 | TAS1R3 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL1924656 | 0.78 | PLOD2 (0.54) | PLOD2CYP1A2CYP2C9CYP2C19PLOD3 | |
| SCHEMBL1348875 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL6166658 | 0.78 | PLOD2 (0.50) | PLOD2CYP1A2CYP3A4CYP2C19PLOD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-1670801-B1 | PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-08 | — | — | EP | disclosed |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2010-08-19 | — | — | US | disclosed |
| US-7718661-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |
| US-7514443-B2 | Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors | HOFFMANN-LA ROCHE INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2008-12-04 | — | — | US | disclosed |
| US-7446113-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20080051421-A1 | Pyrazolo-pyridine | WICHMANN JUERGEN | 2008-02-28 | — | — | US | disclosed |
| US-7329662-B2 | Pyrazolo-pyridine | HOFFMANN-LA ROCHE INC. (US) | 2008-02-12 | — | — | US | disclosed |
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | MCARTHUR SILVIA G | 2007-07-19 | — | — | US | disclosed |
| US-7238808-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-07-03 | — | — | US | disclosed |
| CN-1890242-A | Pyrazolo and imidazo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2007-01-03 | — | — | CN | disclosed |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2006-09-28 | — | — | US | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |
| EP-1670801-A1 | PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2006-06-21 | — | — | EP | disclosed |
| US-20050130992-A1 | Pyrazolo-pyridine | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-16 | — | — | US | disclosed |
| WO-2005040171-A1 | PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-06 | — | — | 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 (6 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-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | PLOD2 4068/4885CYP1A2 119/4885CYP3A4 202/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | PLOD2 4068/4885CYP1A2 119/4885CYP3A4 202/4885 |
| US-20050130992-A1 | Pyrazolo-pyridine | CHRM2, CHRM1, QDPR | PLOD2 3738/4885CYP1A2 168/4885CYP3A4 223/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | PLOD2 4068/4885CYP1A2 119/4885CYP3A4 202/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | PLOD2 3990/4885CYP1A2 72/4885CYP3A4 213/4885 |
| US-20080051421-A1 | Pyrazolo-pyridine | CHRM2, CHRM1, QDPR | PLOD2 3738/4885CYP1A2 168/4885CYP3A4 223/4885 |
“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.