Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 6/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 3/20 | 0.37 |
| ▸ | RARG | P13631 | 3/20 | 0.37 |
| ▸ | RARA | P10276 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ASPH | Q12797 | 1/20 | 0.33 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29655802 | 0.83 | PTGER4 (0.43) | RXRAHNF4AAKR1B1NPC1RARB | |
| SCHEMBL29655763 | 0.80 | PTGER4 (0.46) | RXRAHNF4ANPC1SMN1; SMN2PTGER4 | |
| SCHEMBL31207853 | 0.77 | PKM (0.53) | PKMNPC1SMN1; SMN2KDM4EASPH | |
| SCHEMBL3067031 | 0.77 | PKM (0.53) | PKMNPC1SMN1; SMN2KDM4EASPH | |
| SCHEMBL22222186 | 0.72 | PKM (0.50) | PKMNPC1SMN1; SMN2CNR1KDM4E | |
| SCHEMBL30353220 | 0.72 | RARA (0.54) | RXRAHNF4AAKR1B1NPC1RARB | |
| SCHEMBL28347731 | 0.72 | RARA (0.54) | RXRAHNF4AAKR1B1NPC1RARB | |
| SCHEMBL25165984 | 0.71 | PKM (0.43) | PKMNPC1SMN1; SMN2 | |
| SCHEMBL31474013 | 0.70 | RXRA (0.39) | RXRARARBRARGRARAKDM4E | |
| SCHEMBL1713733 | 0.70 | KDM4E (0.54) | KDM4EASPHKDM8KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111039916-B | Tricyclic spiro compounds | 小野药品工业株式会社 | 2023-04-28 | — | — | CN | disclosed |