Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 5/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.38 |
| ▸ | DPP4 | P27487 | 4/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10156614 | 0.88 | MCHR1 (0.47) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| SCHEMBL28778123 | 0.88 | MCHR1 (0.47) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| SCHEMBL10156631 | 0.84 | ALDH1A1 (0.46) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| SCHEMBL13638962 | 0.83 | EPHX1 (0.47) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| SCHEMBL13162268 | 0.83 | EPHX1 (0.47) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL26599559 | 0.81 | EPHX2 (0.47) | HRH4HRH3EPHX1 | |
| Hydrochloric Acid SCHEMBL2772564 | 0.81 | EPHX1 (0.46) | MCHR1HRH4HRH3PDK2ALDH1A1 | |
| SCHEMBL10194378 | 0.81 | ALDH1A1 (0.56) | MCHR1HRH4HRH3ALDH1A1CYP2D6 | |
| SCHEMBL18284105 | 0.78 | HRH4 (0.42) | MCHR1HRH4PDK2ALDH1A1EPHX1 | |
| SCHEMBL15703919 | 0.78 | HRH4 (0.42) | MCHR1HRH4PDK2ALDH1A1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918940-B | Purine inhibitors of human phosphatidylinositol 3-kinase | 默沙东公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-104918940-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | disclosed |