Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12584456 | 0.89 | STING1 (0.48) | NPC1CYP19A1LOXL2STING1HTR2B | |
| SCHEMBL29518204 | 0.89 | STING1 (0.48) | NPC1CYP19A1LOXL2STING1HTR2B | |
| SCHEMBL22276172 | 0.88 | ATM (0.38) | GPR52STING1HTR2BHTR1AMAOB | |
| SCHEMBL12584451 | 0.85 | KDM4E (0.50) | NPC1CYP19A1STING1HTR2BHTR1A | |
| SCHEMBL28484362 | 0.80 | NPC1 (0.38) | NPC1CYP19A1STING1HTR2BHTR1A | |
| SCHEMBL22276195 | 0.79 | STING1 (0.44) | NPC1CYP19A1LOXL2STING1HTR2B | |
| SCHEMBL29405494 | 0.79 | STING1 (0.44) | NPC1CYP19A1LOXL2STING1HTR2B | |
| SCHEMBL22276046 | 0.78 | STING1 (0.48) | CYP19A1LOXL2STING1HTR2BHTR1A | |
| SCHEMBL12584914 | 0.78 | HTR2B (0.43) | CYP19A1LOXL2STING1HTR2BHTR1A | |
| SCHEMBL988141 | 0.77 | MAOB (0.48) | NPC1KDM4EALDH1A1MAOBPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889134-A1 | COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF | Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020151566-A1 | COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF | 凯复制药有限公司 | 2020-07-30 | — | — | WO | disclosed |