Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329662 | 0.87 | TSHR (0.44) | ALDH2TSHRRAB9ANPC1HSD17B10 | |
| SCHEMBL28328422 | 0.85 | TSHR (0.72) | ALDH2TSHRRAB9ANPC1POLB | |
| SCHEMBL28145228 | 0.83 | HTT (0.49) | ALDH2TSHRRAB9ANPC1POLB | |
| SCHEMBL28145218 | 0.83 | RAB9A (0.52) | ALDH2TSHRRAB9ANPC1POLB | |
| SCHEMBL18227526 | 0.83 | ALDH1A1 (0.58) | RAB9ANPC1POLBKMT2AMAPK7 | |
| SCHEMBL5214374 | 0.81 | KMT2A (0.58) | ALDH2TSHRRAB9ANPC1POLB | |
| SCHEMBL28145222 | 0.80 | NPC1 (0.46) | ALDH2TSHRRAB9ANPC1POLB | |
| SCHEMBL28145226 | 0.80 | ALDH1A1 (0.64) | TSHRKMT2AHSD17B10HPGDHDAC8 | |
| SCHEMBL27773076 | 0.79 | NR1H4 (0.59) | ALDH2TSHRRAB9ANPC1KMT2A | |
| SCHEMBL17339332 | 0.78 | TRPV1 (0.56) | ALDH2TSHRRAB9ANPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661035-B | The Pyrazolopyrimidine derivative of inhibitor as bruton's tyrosine kinase | 洛克索肿瘤学股份有限公司 | 2019-11-19 | — | — | CN | disclosed |
| CN-106661035-A | Pyrazolopyrimidine derivatives as inhibitors of bruton's tyrosine kinase | 莱德克斯制药公共有限公司 | 2017-05-10 | — | — | CN | disclosed |