Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1348410 | 0.79 | APOBEC3G (0.50) | KMT2AALDH1A1SMN1; SMN2HTTGAA | |
| SCHEMBL1938623 | 0.73 | VCAM1 (0.40) | KMT2AALDH1A1SMN1; SMN2VCAM1NPC1 | |
| SCHEMBL25349757 | 0.72 | ALDH1A1 (0.42) | KMT2AALDH1A1SMN1; SMN2PSEN1PSEN2 | |
| SCHEMBL6676536 | 0.69 | SMN1; SMN2 (0.68) | KMT2AALDH1A1SMN1; SMN2VCAM1PSEN1 | |
| SCHEMBL1939622 | 0.69 | VCAM1 (0.37) | SMN1; SMN2VCAM1NPC1GAA | |
| SCHEMBL264305 | 0.69 | NPC1 (0.42) | KMT2AALDH1A1SMN1; SMN2PSEN1PSEN2 | |
| SCHEMBL301650 | 0.69 | KMT2A (0.46) | KMT2AALDH1A1SMN1; SMN2PSEN1PSEN2 | |
| SCHEMBL1939353 | 0.68 | VCAM1 (0.58) | ALDH1A1SMN1; SMN2VCAM1NPC1HTT | |
| SCHEMBL10534725 | 0.67 | KMT2A (0.45) | KMT2AALDH1A1SMN1; SMN2PSEN1PSEN2 | |
| Hydrochloric Acid SCHEMBL27558699 | 0.67 | KMT2A (0.45) | KMT2AALDH1A1SMN1; SMN2PSEN1PSEN2 |
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 | KMT2A 1079/4885ALDH1A1 90/4885SMN1; SMN2 831/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | KMT2A 1079/4885ALDH1A1 90/4885SMN1; SMN2 831/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | KMT2A 1079/4885ALDH1A1 90/4885SMN1; SMN2 831/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | KMT2A 1196/4885ALDH1A1 67/4885SMN1; SMN2 769/4885 |
“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.