Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL17797585 | 0.93 | NR1H2 (0.54) | NR1H2HSD17B3DRD1PDK2GRIN2D | |
| SCHEMBL17797706 | 0.85 | NR1H2 (0.44) | NR1H2HSD17B3PDK2GRIN2DGRIN3B | |
| SCHEMBL20459338 | 0.82 | NR1H2 (0.50) | NR1H2HSD17B3ESR2DRD1PDK2 | |
| SCHEMBL31370719 | 0.81 | AKR1C3 (0.39) | ESR2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17813373 | 0.81 | AKR1C3 (0.39) | ESR2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL24866962 | 0.79 | HTR2A (0.42) | HSD17B3ESR2DRD1DRD2HTR2A | |
| SCHEMBL19700137 | 0.79 | KCNH2 (0.50) | ESR2HTR1ADRD2HTR2AHDAC8 | |
| SCHEMBL13112853 | 0.79 | HTR5A (0.36) | ESR2DRD1HDAC8HDAC6KDM4E | |
| SCHEMBL25856118 | 0.78 | NR1H2 (0.49) | NR1H2HSD17B3DRD1PDK2GRIN2D | |
| SCHEMBL21030558 | 0.77 | NPSR1 (0.36) | ESR2PDK2HTR2AHDAC8HDAC6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160159774-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE CAR LLC (BM) | 2016-06-09 | — | — | US | disclosed |
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |
| US-7705014-B2 | Inhibitors of AKT activity | MERCK SHARP & DOHME CORP. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20090062327-A1 | Inhibitors of AKT Activity | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | 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-20090062327-A1 | Inhibitors of AKT Activity | PIK3CD, PIK3CA, PIK3CG | NR1H2 2928/4885HSD17B3 2964/4885ESR2 1987/4885 |
| US-20160159774-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | NR1H2 557/4885HSD17B3 149/4885ESR2 2068/4885 |
“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.