Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208267 | 0.77 | ALDH1A1 (0.47) | AKR1C3HDAC1NPC1RAB9AALDH1A1 | |
| SCHEMBL7559019 | 0.73 | SMN1; SMN2 (0.41) | AKR1C3NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL60234 | 0.72 | AKR1C3 (0.48) | AKR1C3HDAC1NPC1RAB9AALDH1A1 | |
| SCHEMBL4649317 | 0.72 | KEAP1 (0.46) | POLBKEAP1AKR1C3HTTALDH1A1 | |
| SCHEMBL3826924 | 0.72 | NPC1 (0.45) | AKR1C3HDAC1NPC1RAB9AALDH1A1 | |
| SCHEMBL4202296 | 0.72 | ACP1 (0.69) | KEAP1ACP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9016370 | 0.71 | SMN1; SMN2 (0.59) | POLBALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL7668168 | 0.71 | HDAC2 (0.61) | HTTHDAC1ALDH1A1SMN1; SMN2GLA | |
| Toluene SCHEMBL2305917 | 0.71 | LMNA (0.48) | POLBKEAP1NPC1RAB9AMYC | |
| Hydrochloric Acid SCHEMBL27730029 | 0.70 | NPC1 (0.44) | AKR1C3HDAC1NPC1RAB9AALDH1A1 |
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 |