Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2597839 | 0.76 | HDAC9 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL29609212 | 0.76 | HDAC9 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL6751391 | 0.75 | HDAC9 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL16116728 | 0.75 | HDAC9 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL1153942 | 0.74 | TACR3 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL21496644 | 0.73 | CA12 (0.53) | ALDH1A1KDM4ECA12CA9MAPT | |
| SCHEMBL16075939 | 0.71 | TACR3 (0.44) | HCAR2HDAC9 | |
| SCHEMBL20774262 | 0.71 | CA12 (0.50) | ALDH1A1KDM4ECA12CA9LMNA | |
| SCHEMBL7847932 | 0.70 | CA12 (0.49) | ALDH1A1CYP2C19CA12CA9LMNA | |
| SCHEMBL18088634 | 0.69 | HDAC9 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016148145-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND | 大正製薬株式会社 | 2016-09-22 | — | — | WO | disclosed |