Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL1821719 | 0.93 | CYP2D6 (0.42) | CYP2D6ELANECTSGKMT2AALDH1A1 | |
| SCHEMBL1976076 | 0.93 | CYP2D6 (0.42) | CYP2D6ELANECTSGKMT2AALDH1A1 | |
| SCHEMBL1974539 | 0.93 | CYP2D6 (0.42) | CYP2D6ELANECTSGKMT2AALDH1A1 | |
| SCHEMBL1819283 | 0.83 | CYP2D6 (0.34) | CYP2D6ELANECTSGKMT2ASMN1; SMN2 | |
| SCHEMBL1974127 | 0.83 | CYP2D6 (0.34) | CYP2D6ELANECTSGKMT2ASMN1; SMN2 | |
| SCHEMBL1972893 | 0.83 | CYP2D6 (0.34) | CYP2D6ELANECTSGKMT2ASMN1; SMN2 | |
| SCHEMBL5938430 | 0.81 | HSD11B1 (0.46) | KMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5939353 | 0.81 | HSD11B1 (0.46) | KMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL1975655 | 0.81 | SMN1; SMN2 (0.40) | CYP2D6KMT2ARAB9AALDH1A1L3MBTL1 | |
| SCHEMBL1976892 | 0.81 | SMN1; SMN2 (0.40) | CYP2D6KMT2ARAB9AALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130331568-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2013-12-12 | — | — | US | disclosed |
| US-8536229-B2 | Acetylene derivatives having MGluR 5 antagonistic activity | NOVARTIS AG (CH) | 2013-09-17 | — | — | US | disclosed |
| US-20120010263-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2012-01-12 | — | — | US | disclosed |
| US-20080146647-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2008-06-19 | — | — | US | disclosed |
| US-7348353-B2 | Acetylene derivatives having mGluR 5 antagonistic activity | NOVARTIS AG (CH) | 2008-03-25 | — | — | US | disclosed |
| EP-1453512-B8 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| EP-1453512-B1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2006-05-31 | — | — | EP | disclosed |
| US-20050065191-A1 | Acetylene derivatives having mglur 5 antagonistic activity | NOVARTIS AG (CH) | 2005-03-24 | — | — | US | disclosed |
| EP-1453512-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | Novartis AG (CH) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003047581-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | NOVARTIS AG (CH) | 2003-06-12 | — | — | 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-20130331568-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | GRM5, GRM1, GRIK5 | CYP2D6 2742/4885ELANE 4119/4885CTSG 3661/4885 |
| US-20080146647-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | GRM5, GRIK5, GRM1 | CYP2D6 2869/4885ELANE 4301/4885CTSG 3570/4885 |
| US-20050065191-A1 | Acetylene derivatives having mglur 5 antagonistic activity | GRM5, GRM1, GRM2 | CYP2D6 2552/4885ELANE 3806/4885CTSG 3628/4885 |
| US-20120010263-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | GRM5, GRIK5, GRM1 | CYP2D6 2869/4885ELANE 4301/4885CTSG 3570/4885 |
“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.