Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13801327 | 0.85 | ACE (0.43) | ACEMMP13LMNACYP1A2CYP3A4 | |
| SCHEMBL3963853 | 0.84 | ACE (0.46) | ACEMMP13LMNACYP1A2CYP3A4 | |
| SCHEMBL14410187 | 0.84 | PARP1 (0.45) | ACEMMP13LMNACYP1A2CYP3A4 | |
| SCHEMBL3959945 | 0.82 | CHRM4 (0.55) | CYP3A4CYP2D6CHRM4CHRM3 | |
| SCHEMBL27455061 | 0.79 | CHRM2 (0.53) | HTR2ACALCRLCHRM4RAMP1OPRM1 | |
| SCHEMBL5371647 | 0.75 | CALCRL (0.44) | ACEMMP13CALCRL | |
| SCHEMBL2866213 | 0.72 | MAPK1 (0.52) | CTSSCDK5CDK5R1AADATHTR5A | |
| SCHEMBL31184907 | 0.69 | JAK2 (0.40) | ACEMMP13CDK5CDK5R1CALCRL | |
| SCHEMBL2878324 | 0.69 | HTR2C (0.41) | CTSSHTR2AHTR2C | |
| SCHEMBL31184899 | 0.67 | MALT1 (0.45) | LMNACYP1A2CYP3A4 |
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 2 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 |
| 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 |