Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 4/20 | 0.47 |
| ▸ | BCR | P11274 | 4/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19533645 | 0.80 | ALDH1A1 (0.50) | BTKHPGDALDH1A1MAPK1NPC1 | |
| SCHEMBL1594208 | 0.79 | HPGD (0.55) | HPGDALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL30737549 | 0.78 | BTK (0.52) | BTKHPGDALDH1A1MAPK1NPC1 | |
| SCHEMBL30737592 | 0.77 | HPGD (0.54) | BTKHPGDALDH1A1MAPK1NPC1 | |
| SCHEMBL19544302 | 0.75 | ALPL (0.63) | HPGDALDH1A1NPC1RAB9APKM | |
| SCHEMBL30737576 | 0.75 | BTK (0.49) | BTKHPGDALDH1A1MAPK1NPC1 | |
| SCHEMBL12692666 | 0.74 | ALK (0.48) | ALDH1A1MAPK1NPC1RAB9APKM | |
| SCHEMBL1554730 | 0.73 | TACR3 (0.55) | HPGDALDH1A1JAK2TSHR | |
| SCHEMBL10721733 | 0.73 | HPGD (0.95) | HPGDALDH1A1MAPK1KDM4ETSHR | |
| SCHEMBL28511427 | 0.71 | TACR3 (0.76) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117510505-A | Pyrimidopyrazoles derivatives and their use in medicine | 中国药科大学 | 2024-02-06 | — | — | CN | disclosed |