Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 6/20 | 0.41 |
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | HTR1D | P28221 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5319256 | 0.85 | KDM4A (0.42) | KDM4EALDH1A1HSD17B10DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL6080168 | 0.75 | HTR6 (0.45) | KDM4EALDH1A1HTR1BHTR1AHTR1D | |
| SCHEMBL4991445 | 0.74 | HTR1B (0.63) | KDM4EALDH1A1HPGDTSHRCASP1 | |
| Hydrochloric Acid SCHEMBL4990186 | 0.73 | HTR1B (0.62) | KDM4EALDH1A1HPGDTSHRCASP1 | |
| SCHEMBL6591671 | 0.71 | KDM4A (0.48) | KDM4EALDH1A1HTR6MEN1USP2 | |
| SCHEMBL6592438 | 0.71 | GPR35 (0.51) | KDM4EALDH1A1HPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL6079508 | 0.71 | KDM4A (0.47) | KDM4EALDH1A1HTR6MEN1USP2 | |
| SCHEMBL6597066 | 0.70 | GPR35 (0.47) | KDM4EALDH1A1HPGDGPR35ALOX15 | |
| SCHEMBL6601321 | 0.70 | GPR35 (0.44) | KDM4EALDH1A1HPGDTSHRGPR35 | |
| SCHEMBL5827458 | 0.70 | HTR1D (0.55) | HTR1BHTR1AHTR1DDRD2DRD3 |
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-2007097697-A1 | THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS | ASTRAZENECA AB (SE) | 2007-08-30 | — | — | WO | disclosed |