Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | FLT1 | P17948 | 2/20 | 0.46 |
| ▸ | FLT4 | P35916 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29693880 | 0.84 | NPC1 (0.43) | SMN1; SMN2ALDH1A1AKR1C2AKR1C1VCP | |
| SCHEMBL8653177 | 0.83 | ALDH1A1 (0.53) | SMN1; SMN2TSHRALDH1A1ERCC5FEN1 | |
| SCHEMBL20512347 | 0.82 | SMN1; SMN2 (0.63) | SMN1; SMN2TSHRCASP1ALDH1A1MAPK1 | |
| SCHEMBL28687224 | 0.81 | VCP (0.43) | SMN1; SMN2TSHRCASP1ALDH1A1AKR1C2 | |
| SCHEMBL28173510 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2TSHRCASP1ALDH1A1MAPK1 | |
| SCHEMBL28141856 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2TSHRCASP1ALDH1A1MAPK1 | |
| SCHEMBL27167237 | 0.79 | CES2 (0.43) | ALDH1A1HSP90AA1MAPTPTGDR2 | |
| SCHEMBL8652597 | 0.76 | VCP (0.69) | SMN1; SMN2TSHRALDH1A1VCPRAB9A | |
| SCHEMBL7202005 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRCASP1ALDH1A1MAPK1 | |
| SCHEMBL29625166 | 0.75 | NPC1 (0.55) | SMN1; SMN2ALDH1A1AKR1C2AKR1C1VCP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1228076-A | Diaryl acetylene ketones | BAYER AG (DE) | 1999-09-08 | — | — | CN | disclosed |
| EP-0866785-A1 | DIARYL ACETYLENE KETONES | BAYER AG (DE) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997021658-A1 | DIARYL ACETYLENE KETONES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-19 | — | — | WO | disclosed |