Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779468 | 0.82 | NPC1 (0.41) | ALDH1A1HPGDHSD17B10TP53TSHR | |
| SCHEMBL28779470 | 0.78 | ALDH1A1 (0.33) | ALDH1A1HPGDHSD17B10TP53TSHR | |
| SCHEMBL28779476 | 0.74 | CYP2A6 (0.39) | CYP2A6NPC1 | |
| SCHEMBL25959173 | 0.74 | ACHE (0.36) | ALDH1A1TSHRCYP2A6ACHECYP1A2 | |
| SCHEMBL16934069 | 0.73 | ACHE (0.46) | ALDH1A1TSHRATMMGAMGAA | |
| SCHEMBL17351675 | 0.73 | PTGS2 (0.43) | ALDH1A1HPGDHSD17B10TP53TSHR | |
| SCHEMBL17523404 | 0.73 | PTGS2 (0.43) | ALDH1A1HPGDHSD17B10TP53TSHR | |
| SCHEMBL28779497 | 0.73 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL17035490 | 0.71 | ACHE (0.46) | ALDH1A1HPGDTSHRMGAMGAA | |
| SCHEMBL28779463 | 0.70 | CA1 (0.34) | — |
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-114591290-A | Preparation method of substituted benzo [ B ] naphthalene benzene [2, 3-D ] thiophene derivative and derivative | 陕西维世诺新材料有限公司 | 2022-06-07 | — | — | CN | disclosed |