Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 4/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.43 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.43 |
| ▸ | CACNG8 | Q8WXS5 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13303940 | 0.88 | GAA (0.68) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL3818109 | 0.84 | GAA (0.63) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7027027 | 0.82 | PARP1 (0.46) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7028562 | 0.82 | CA12 (0.47) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL28624153 | 0.81 | GAA (0.70) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6768064 | 0.81 | GAA (0.59) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6768001 | 0.81 | GAA (0.65) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL5393113 | 0.81 | GAA (0.59) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL20718811 | 0.79 | GAA (0.73) | GAAPKMGRIN2DGRIN3BGRIN1 | |
| SCHEMBL31239037 | 0.77 | GAA (0.54) | GAAPKMGRIN2DGRIN3BGRIN1 |
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-3115361-B1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2019-10-23 | — | — | EP | disclosed |
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-3115361-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015131856-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2015-09-11 | — | — | WO | disclosed |
| WO-2004039409-A2 | COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF | SWITCH BIOTECH AG (DE) | 2004-05-13 | — | — | WO | disclosed |
| US-5521193-A | SEROTONIN AGONISTS AND ANTAGONISTS | G. D. SEARLE & CO. (US) | 1996-05-28 | — | — | US | disclosed |
| WO-1994000449-A1 | BENZIMIDAZOLE COMPOUNDS | G.D. SEARLE & CO. (US) | 1994-01-06 | — | — | 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 (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-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | CYP11B2, CYP11B1, ADCYAP1R1 | GAA 339/4885PKM 250/4885GRIN2D 781/4885 |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | CYP11B2, CYP11B1, ADCYAP1R1 | GAA 339/4885PKM 250/4885GRIN2D 781/4885 |
“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.