Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348581 | 0.90 | NPC1 (0.38) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1348927 | 0.87 | MAPT (0.38) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1350003 | 0.82 | NPC1 (0.47) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL312897 | 0.81 | KDM4E (0.52) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1346713 | 0.80 | HPGD (0.43) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL312531 | 0.77 | KDM4E (0.64) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1348242 | 0.76 | HPGD (0.57) | MAPTKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL1348378 | 0.76 | PSD (0.38) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1348816 | 0.73 | ADK (0.44) | — | |
| SCHEMBL313230 | 0.72 | KDM4E (0.50) | MAPTKDM4EALDH1A1NPC1RAB9A |
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 11 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 |
| 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-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 |
| 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 |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | MAPT 181/4885KDM4E 1335/4885ALDH1A1 90/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | MAPT 181/4885KDM4E 1335/4885ALDH1A1 90/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | MAPT 181/4885KDM4E 1335/4885ALDH1A1 90/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | MAPT 260/4885KDM4E 1296/4885ALDH1A1 67/4885 |
“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.