Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | CASP7 | P55210 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26294667 | 0.78 | ALDH1A1 (0.50) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL20855328 | 0.75 | GPR3 (0.48) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL31313485 | 0.75 | GPR3 (0.48) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL20594526 | 0.75 | KDM4E (0.53) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL20594339 | 0.75 | PDE10A (0.45) | HSD17B10ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL22410701 | 0.71 | KDM4E (0.40) | ALDH1A1HPGDKDM4EGLASMN1; SMN2 | |
| SCHEMBL31649155 | 0.70 | DCPS (0.57) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL23883557 | 0.70 | KDM4E (0.47) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL29181141 | 0.68 | HSD17B10 (0.59) | HSD17B10ACHEALDH1A1HPGDKDM4E | |
| SCHEMBL16111018 | 0.68 | GPR3 (0.41) | HSD17B10ACHEALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018234184-A1 | PROCESS FOR THE PREPARATION OF 2,3,4-TRISUBSTITUTED QUINOLINES | BAYER AKTIENGESELLSCHAFT (DE) | 2018-12-27 | — | — | WO | disclosed |