Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 6/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5110176 | 0.84 | L3MBTL1 (0.46) | RXRAGRIN1GRIN2BNPC1RAB9A | |
| SCHEMBL13106298 | 0.82 | RXRA (0.43) | RXRAGRIN1GRIN2BRAB9AGRM4 | |
| SCHEMBL16789159 | 0.80 | GRM4 (0.49) | NPC1RAB9AGRM4KMT2AMEN1 | |
| SCHEMBL27822297 | 0.79 | FAAH (0.40) | NPC1RAB9AGRM4KMT2AMEN1 | |
| SCHEMBL9134471 | 0.79 | NOTUM (0.47) | RXRANPC1RAB9APAX8KMT2A | |
| SCHEMBL23403693 | 0.79 | GAA (0.62) | RXRAGRIN1GRIN2BNPC1RAB9A | |
| SCHEMBL22632940 | 0.79 | KMT2A (0.47) | RXRAGRIN1GRIN2BNPC1RAB9A | |
| SCHEMBL26031073 | 0.79 | RXRA (0.48) | RXRAGRIN1GRIN2BNPC1RAB9A | |
| SCHEMBL2412730 | 0.79 | RXRA (0.42) | RXRAGRIN1GRIN2BNPC1RAB9A | |
| SCHEMBL6275209 | 0.78 | RAB9A (0.44) | RXRAGRIN1GRIN2BNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247596-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | Natco Pharma Limited (IN) | 2010-11-10 | — | — | EP | claimed |
| WO-2009098715-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | NATCO PHARMA LIMITED (IN) | 2009-08-13 | — | — | WO | claimed |