Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 3/20 | 0.36 |
| ▸ | MERTK | Q12866 | 3/20 | 0.36 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30139731 | 0.90 | CHRNB2 (0.42) | HRH3HRH4CHRNB2CHRNA4 | |
| SCHEMBL30139795 | 0.86 | HRH3 (0.47) | HRH3HRH4ATRPTPN11 | |
| SCHEMBL30139759 | 0.72 | TLR9 (0.38) | HRH3AXLMERTKTYRO3AURKA | |
| SCHEMBL23711942 | 0.71 | PARP1 (0.42) | — | |
| SCHEMBL30139810 | 0.71 | KHK (0.46) | ATRTBK1 | |
| SCHEMBL30139792 | 0.71 | PARP1 (0.42) | — | |
| SCHEMBL4753475 | 0.71 | EGFR (0.49) | SRC | |
| SCHEMBL31347924 | 0.68 | PLD1 (0.53) | HRH3GPR119HRH4CHRNB2CHRNA4 | |
| SCHEMBL529383 | 0.68 | PLD1 (0.53) | HRH3GPR119HRH4CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL25317270 | 0.67 | CHRNB2 (0.60) | GPR119HRH4CHRNB2CHRNA4PLD1 |
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 |