Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.65 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.59 |
| ▸ | HPGDS | O60760 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17574086 | 0.82 | NR1H2 (0.96) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL26109969 | 0.82 | NR1H2 (0.96) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL17253717 | 0.81 | NR1H2 (0.92) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL17279700 | 0.81 | NR1H2 (0.92) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL666693 | 0.80 | NR1H2 (1.00) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL15025693 | 0.80 | NR1H2 (0.73) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL1071190 | 0.79 | NR1H2 (0.96) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL6580914 | 0.78 | NR1H2 (0.46) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL29035844 | 0.78 | NR1H2 (0.79) | NR1H2NR1H3NPC1RAB9ALMNA | |
| SCHEMBL6580842 | 0.78 | NR1H2 (0.43) | NR1H2NR1H3NPC1RAB9ALMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788333-B1 | 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INT (DE) | 2016-03-23 | — | — | EP | disclosed |
| EP-2804854-B1 | SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-16 | — | — | EP | disclosed |
| US-8889677-B2 | Substituted triazoles useful as mGlu5 receptor modulators | Boehringer Ingellheim International GmbH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-8642774-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| WO-2013107761-A1 | SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-25 | — | — | WO | disclosed |
| US-20130184248-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-18 | — | — | US | disclosed |
| WO-2013083741-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| US-20130150341-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | US | 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 (2 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-20130150341-A1 | NOVEL COMPOUNDS | GRM5, GRM1, GRIK5 | NR1H2 443/4885NR1H3 586/4885NPC1 1813/4885 |
| US-20130184248-A1 | NOVEL COMPOUNDS | GRM5, GRIN1, GRM1 | NR1H2 420/4885NR1H3 534/4885NPC1 1738/4885 |
“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.