Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5403856 | 0.87 | ALDH1A1 (0.56) | CYP1A2ALDH1A1MAPK1NPSR1GAA | |
| SCHEMBL10332847 | 0.80 | CYP1A2 (0.42) | CYP1A2ALDH1A1MAPK1GAAADRA2A | |
| SCHEMBL11614429 | 0.76 | KAT2B (0.45) | CYP1A2ALDH1A1ADRA2AGPR84TNF | |
| SCHEMBL10501681 | 0.76 | ALDH1A1 (0.41) | CYP1A2ALDH1A1MAPK1NPSR1GAA | |
| SCHEMBL1652855 | 0.75 | ALDH1A1 (0.64) | CYP1A2ALDH1A1MAPK1NPSR1GAA | |
| SCHEMBL11189188 | 0.75 | ALDH1A1 (0.41) | CYP1A2ALDH1A1ADRA2AGPR84TNF | |
| SCHEMBL6990525 | 0.73 | ALDH1A1 (0.46) | CYP1A2ALDH1A1MAPK1NPSR1GAA | |
| SCHEMBL5397566 | 0.73 | ALDH1A1 (0.46) | CYP1A2ALDH1A1MAPK1NPSR1GAA | |
| SCHEMBL480505 | 0.73 | MAPK1 (0.56) | CYP1A2ALDH1A1MAPK1NPSR1L3MBTL1 | |
| SCHEMBL8174724 | 0.70 | ALDH1A1 (0.55) | CYP1A2ALDH1A1MAPK1GAAADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4511557-A | CALF'S BLOOD DIAYSATE AS VASODILATION POTENTIATOR | GAURI KAILASH KUMAR (DE) | 1985-04-16 | — | — | US | disclosed |
| EP-0077372-A1 | NEW DERIVATIVES OF PYRAZOLO(3,4-d)PYRIMIDINE, PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1983-04-27 | — | — | EP | disclosed |
| WO-1982003626-A1 | NEW DERIVATIVES OF PYRAZOLO(3,4-D)PYRIMIDINE,PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM | GAURI KAILASH KUMAR | 1982-10-28 | — | — | WO | disclosed |
| EP-0063381-A1 | Pyrazolo(3-4-d) pyrimidines, process for their preparation and pharmaceutical compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-10-27 | — | — | EP | disclosed |