Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24921178 | 0.75 | BTK (0.42) | KMO | |
| SCHEMBL14447596 | 0.74 | KMO (0.44) | KMOCYP2C19CNR2NPC1RAB9A | |
| SCHEMBL24921969 | 0.74 | KMO (0.39) | KMOCNR2NPC1RAB9AKDM4E | |
| SCHEMBL24921988 | 0.74 | CNR2 (0.36) | KMOCNR2 | |
| SCHEMBL24920871 | 0.73 | L3MBTL1 (0.41) | CYP2C19NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5347158 | 0.71 | NPC1 (0.43) | KMOCYP2C19NPC1RAB9ACYP1A2 | |
| SCHEMBL24921190 | 0.71 | S1PR1 (0.49) | — | |
| SCHEMBL24921180 | 0.71 | CCR1 (0.61) | KMOCYP2C19CNR2CYP1A1CYP1B1 | |
| SCHEMBL24920817 | 0.71 | CYP11B2 (0.38) | KMOCNR2 | |
| SCHEMBL14031855 | 0.70 | CYP2C19 (0.41) | CYP2C19CYP1A1CYP1B1NPC1RAB9A |
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-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |