Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10669086 | 0.78 | ALDH1A1 (0.34) | ALDH1A1TSHRMT-CO2ALOX5 | |
| SCHEMBL5742787 | 0.73 | PREP (0.32) | — | |
| SCHEMBL6107096 | 0.72 | HSD11B1 (0.38) | ALDH1A1TSHRMT-CO2ALOX5 | |
| SCHEMBL6107091 | 0.72 | HSD11B1 (0.38) | ALDH1A1TSHRMT-CO2ALOX5 | |
| SCHEMBL6107095 | 0.72 | HSD11B1 (0.38) | ALDH1A1TSHRMT-CO2ALOX5 | |
| SCHEMBL6107480 | 0.72 | HSD11B1 (0.38) | ALDH1A1TSHRMT-CO2ALOX5 | |
| SCHEMBL16766255 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL11082102 | 0.69 | CHRM2 (0.38) | ALDH1A1TSHR | |
| SCHEMBL11082100 | 0.69 | CHRM2 (0.38) | ALDH1A1TSHR | |
| SCHEMBL1691950 | 0.69 | CYP2D6 (0.41) | ALDH1A1 |
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 | ALDH1A1 1423/4885TSHR 200/4885CREBBP 1122/4885 |
| US-20080146647-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | GRM5, GRIK5, GRM1 | ALDH1A1 1400/4885TSHR 205/4885CREBBP 993/4885 |
| US-20050065191-A1 | Acetylene derivatives having mglur 5 antagonistic activity | GRM5, GRM1, GRM2 | ALDH1A1 1205/4885TSHR 175/4885CREBBP 1199/4885 |
| US-20120010263-A1 | ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY | GRM5, GRIK5, GRM1 | ALDH1A1 1400/4885TSHR 205/4885CREBBP 993/4885 |
“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.