Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22122785 | 0.85 | PYCR1 (0.44) | TSHRRECQLALOX15ALOX12MEN1 | |
| SCHEMBL22145313 | 0.85 | PYCR1 (0.44) | TSHRRECQLALOX15ALOX12MEN1 | |
| SCHEMBL30485975 | 0.85 | PYCR1 (0.44) | TSHRRECQLALOX15ALOX12MEN1 | |
| SCHEMBL16269358 | 0.81 | HTR2A (0.51) | NOS3NOS1NOS2PNMTHTR2A | |
| SCHEMBL12713189 | 0.80 | PPARA (0.43) | NOS3NOS1NOS2TSHRRECQL | |
| SCHEMBL12713191 | 0.80 | PPARA (0.37) | NOS3NOS1NOS2ALOX15ALOX12 | |
| SCHEMBL3459259 | 0.79 | CYP3A4 (0.41) | TSHRRECQLALOX15ALOX12MEN1 | |
| SCHEMBL13692272 | 0.79 | CYP3A4 (0.41) | TSHRRECQLALOX15ALOX12MEN1 | |
| SCHEMBL17429691 | 0.79 | ALOX15 (0.40) | NOS2TSHRALOX15ALOX12MEN1 | |
| SCHEMBL16986776 | 0.78 | ALOX15 (0.39) | ALOX15ALOX12MEN1KMT2AHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111936506-B | Compound and organic light-emitting element comprising same | 株式会社LG化学 | 2023-11-07 | — | — | CN | disclosed |
| CN-113912597-B | ROR gamma inhibitor, preparation method and medical application thereof | 赛诺哈勃药业（成都）有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-113912597-A | ROR gamma inhibitor, preparation method and medical application thereof | 赛诺哈勃药业（成都）有限公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-111936506-A | Compound and organic light-emitting element comprising same | 株式会社LG化学 | 2020-11-13 | — | — | CN | disclosed |