Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15212365 | 0.87 | NOS3 (0.40) | HSD17B10CASP1CASP7CES2MAPT | |
| SCHEMBL29554639 | 0.87 | NOS3 (0.40) | HSD17B10CASP1CASP7CES2MAPT | |
| SCHEMBL31219986 | 0.80 | CYP19A1 (0.41) | CES2MAPTKDM4EALDH1A1GAA | |
| SCHEMBL14001394 | 0.75 | NOS3 (0.53) | HSD17B10MAOBKDM4EALDH1A1NOS3 | |
| SCHEMBL29825835 | 0.74 | CES2 (0.35) | HSD17B10CES2MAPTKDM4EALDH1A1 | |
| SCHEMBL31758757 | 0.71 | MAPK10 (0.36) | HSD17B10CES2MAPTLMNAALDH1A1 | |
| SCHEMBL31758462 | 0.71 | PDK2 (0.33) | HSD17B10CES2MAPTKDM4EALDH1A1 | |
| SCHEMBL30014807 | 0.70 | PBRM1 (0.43) | HSD17B10CASP1CASP7CES2MAOB | |
| SCHEMBL12817120 | 0.69 | NR1H2 (0.43) | HSD17B10CASP1CASP7MAPTLMNA | |
| SCHEMBL6658043 | 0.69 | CASP1 (0.71) | HSD17B10CASP1CASP7MAOBMAPT |
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-2022270994-A1 | NOVEL BIFUNCTIONAL HETEROCYCLIC COMPOUND HAVING BTK DEGRADATION FUNCTION VIA UBIQUITIN PROTEASOME PATHWAY, AND USE THEREOF | 한국화학연구원 | 2022-12-29 | — | — | WO | disclosed |