Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | DRD5 | P21918 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8485819 | 0.77 | DRD1 (0.57) | PDK2ESR2ESR1ABHD6DRD2 | |
| SCHEMBL10269052 | 0.77 | PDK2 (0.47) | PDK2ESR2ESR1ABHD6DRD2 | |
| SCHEMBL11434101 | 0.77 | HTR2A (0.42) | — | |
| SCHEMBL14067241 | 0.76 | PDK2 (0.46) | PDK2ESR2ESR1ABHD6DRD2 | |
| SCHEMBL30142515 | 0.75 | ABHD6 (0.53) | PDK2ESR2ESR1ABHD6HSP90AA1 | |
| SCHEMBL14223471 | 0.74 | PDK2 (0.42) | PDK2MEN1KMT2A | |
| SCHEMBL5517884 | 0.74 | MEN1 (0.70) | PDK2ESR2ESR1ABHD6DRD2 | |
| SCHEMBL19675161 | 0.73 | DPP9 (0.47) | — | |
| SCHEMBL14626144 | 0.72 | PDK2 (0.47) | PDK2ESR2ESR1ABHD6DRD2 | |
| SCHEMBL11270263 | 0.72 | DRD2 (0.44) | PDK2ESR2ESR1ABHD6DRD2 |
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 4 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 |
| WO-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |
| WO-2008044054-A2 | HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |