Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17479807 | 0.75 | ALDH1A1 (0.60) | TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL329398 | 0.73 | MAPT (0.47) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL31665885 | 0.72 | MAPT (0.46) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL544259 | 0.72 | MAPT (0.46) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL305334 | 0.72 | LMNA (0.53) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL329399 | 0.72 | MAPT (0.46) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3136339 | 0.72 | MAPT (0.46) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL21512129 | 0.70 | HSD17B10 (0.38) | TSHRSMN1; SMN2ALDH1A1HPGDNPC1 | |
| SCHEMBL27475289 | 0.70 | MAPT (0.44) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5021503 | 0.69 | ELANE (0.62) | TSHRSMN1; SMN2ALDH1A1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-114874152-A | Octylene benzoxazole sulfonamide derivative, intermediate, preparation method and application thereof | 西南大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-114874152-A | Octylene benzoxazole sulfonamide derivative, intermediate, preparation method and application thereof | 西南大学 | 2022-08-09 | — | — | CN | disclosed |