Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537922 | 0.96 | ALDH1A1 (0.38) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9535132 | 0.89 | SLC6A9 (0.43) | ALDH1A1TSHRUSP2HSD17B10GAA | |
| SCHEMBL9536415 | 0.84 | KDM4E (0.48) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9535079 | 0.83 | TSHR (0.45) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9536406 | 0.83 | ALDH1A1 (0.37) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9537863 | 0.82 | SSTR5 (0.45) | USP2GAADRD2DRD4HTT | |
| SCHEMBL9537470 | 0.76 | KDM4E (0.50) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9535315 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRUSP2KDM4EHSD17B10 | |
| SCHEMBL9696702 | 0.76 | CACNA2D1 (0.36) | ALDH1A1TSHRUSP2HSD17B10NPSR1 | |
| Hydrochloric Acid SCHEMBL9537429 | 0.76 | GAA (0.52) | ALDH1A1TSHRUSP2KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | claimed |