Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6640042 | 0.86 | ALDH1A1 (0.40) | KDM4EHPGDALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7220696 | 0.81 | CA1 (0.41) | CNR2ALDH1A1CYP2C9CYP3A4KMT2A | |
| SCHEMBL7564750 | 0.78 | NPC1 (0.40) | CNR2ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9222087 | 0.78 | RECQL (0.38) | CNR2ALDH1A1CYP2C9CYP3A4KMT2A | |
| SCHEMBL2264042 | 0.77 | KMT2A (0.48) | HPGDALDH1A1CYP2C19CYP1A2KMT2A | |
| SCHEMBL9222107 | 0.77 | NPC1 (0.39) | CNR2ALDH1A1MAPK1SMN1; SMN2NPC1 | |
| SCHEMBL12890571 | 0.75 | GAA (0.56) | KDM4EHPGDALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL23561220 | 0.74 | LMNA (0.56) | HPGDALDH1A1KMT2ARAB9ALMNA | |
| SCHEMBL622137 | 0.74 | ALOX5 (0.51) | KDM4EHPGDALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9175588 | 0.73 | MEN1 (0.59) | HPGDCNR2ALDH1A1CYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002067654-A3 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-10-31 | — | — | WO | claimed |
| WO-2002067654-A3 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-10-31 | — | — | WO | disclosed |