Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 3/20 | 0.48 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 6/20 | 0.36 |
| ▸ | CASP7 | P55210 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1349231 | 0.74 | AR (0.35) | KMT2AMEN1HSD17B3MCL1CSNK2A2 | |
| SCHEMBL6121460 | 0.74 | CA1 (0.52) | KMT2ACYP3A4MEN1GLAHSD17B3 | |
| SCHEMBL6908493 | 0.74 | MAPT (0.39) | MCL1ALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL3684506 | 0.69 | EPHX2 (0.51) | CYP3A4GLATDP1ALDH1A1KDM4E | |
| SCHEMBL11619492 | 0.69 | — | — | |
| SCHEMBL1349437 | 0.67 | MAPT (0.47) | KMT2ACYP3A4MEN1ALDH1A1MAPT | |
| 4-Hydroxy-6-Methylpyran-2-One SCHEMBL320025 | 0.65 | — | — | |
| SCHEMBL5715985 | 0.65 | KMT2A (0.48) | KMT2ACYP3A4MEN1GLAHSD17B3 | |
| SCHEMBL21623585 | 0.65 | MAPT (0.55) | KMT2ACYP3A4MEN1GLAHSD17B3 | |
| SCHEMBL7372279 | 0.65 | EPHX2 (0.61) | KMT2ACYP3A4MEN1HSD17B3ALDH1A1 |
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 28 patents — showing the first 20. 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 |
| CN-102030645-A | Method for the production of 6,6,6-trihalo-3,5-dioxohexanoicacid esters | LONZA AG | 2011-04-27 | — | — | CN | disclosed |
| CN-101180299-B | Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |
| US-7781601-B2 | Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters | BASEL (CH) | 2010-08-24 | — | — | US | 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 |
| CN-101693664-A | Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters | LONZA AG | 2010-04-14 | — | — | CN | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | 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 |
| CN-1871202-A | Preparation method of 6,6, 6-trihalo-3, 5-dioxohexanoate | LONZA AG (CH) | 2006-11-29 | — | — | CN | disclosed |
| US-20060235240-A1 | Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters | LONZA AG (CH) | 2006-10-19 | — | — | US | 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-1680391-A1 | METHOD FOR THE PRODUCTION OF 6,6,6-TRIHALO-3,5-DIOXOHEXANOIC ACID ESTERS | LONZA AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005040087-A1 | METHOD FOR THE PRODUCTION OF 6,6,6-TRIHALO-3,5-DIOXOHEXANOIC ACID ESTERS | LONZA AG (CH) | 2005-05-06 | — | — | WO | disclosed |
| EP-1299372-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 2003-04-09 | — | — | EP | disclosed |
| US-6465509-B2 | FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT | MERCK FROSST CANADA & CO. (CA) | 2002-10-15 | — | — | US | disclosed |
| US-20020058690-A1 | For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent | MERCK FROSST CANADA LTD. (CA) | 2002-05-16 | — | — | US | disclosed |
| WO-2002002547-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 2002-01-10 | — | — | 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 (5 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 | KMT2A 1079/4885CYP3A4 202/4885MEN1 1625/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | KMT2A 1079/4885CYP3A4 202/4885MEN1 1625/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | KMT2A 1079/4885CYP3A4 202/4885MEN1 1625/4885 |
| US-20020058690-A1 | For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent | PTGS1, PTGES2, PTGS2 | KMT2A 4253/4885CYP3A4 617/4885MEN1 3049/4885 |
| US-20060235240-A1 | Method for the production of 6,6,6-trihalo-3,5-dioxohexanoic acid esters | ELOVL6, ACSL6, DAGLA | KMT2A 3660/4885CYP3A4 440/4885MEN1 3684/4885 |
“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.