Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14827196 | 0.81 | COMT (0.61) | HPGDHSD17B10MGLLCOMTGSK3A | |
| SCHEMBL27617592 | 0.78 | HPGD (0.47) | POLBHPGDNPSR1HSD17B10FAAH | |
| SCHEMBL21579385 | 0.74 | FAAH (0.43) | FAAHMGLLCOMT | |
| SCHEMBL20176828 | 0.74 | COMT (0.41) | HPGDNPSR1HSD17B10FAAHMGLL | |
| SCHEMBL20176822 | 0.74 | KDM4E (0.44) | HSD17B10COMTALDH1A1KDM4EGAA | |
| SCHEMBL20176617 | 0.71 | KMT2A (0.53) | POLBHPGDNPSR1HSD17B10FAAH | |
| SCHEMBL14827204 | 0.69 | COMT (0.70) | FAAHMGLLCOMTALDH1A1HSP90AA1 | |
| SCHEMBL21652820 | 0.69 | NPSR1 (0.37) | HPGDNPSR1HSD17B10COMTNPC1 | |
| SCHEMBL27858730 | 0.69 | KMT2A (0.51) | KMT2A | |
| SCHEMBL2606749 | 0.69 | — | — |
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-2018092047-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | JOINT STOCK COMPANY "BIOCAD" (RU) | 2018-05-24 | — | — | WO | disclosed |