Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.58 |
| ▸ | DRD4 | P21917 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873570 | 0.83 | KDR (0.45) | PARP1DRD4KDM4EDRD2ALDH1A1 | |
| SCHEMBL8683088 | 0.83 | DRD4 (0.60) | PARP1DRD4KDM4EMAPTGAA | |
| SCHEMBL8068175 | 0.82 | PARP1 (0.66) | PARP1DRD4KDM4EMAPTGAA | |
| SCHEMBL8874246 | 0.82 | KDR (0.45) | PARP1DRD4KDM4EMAPTHTT | |
| SCHEMBL8874059 | 0.81 | DRD2 (0.49) | PARP1DRD4KDM4EKMT2ADRD2 | |
| SCHEMBL8875278 | 0.81 | DRD2 (0.49) | PARP1DRD4KDM4EKMT2ADRD2 | |
| SCHEMBL1813854 | 0.80 | KDR (0.60) | PARP1DRD4HTTDRD2DRD3 | |
| SCHEMBL3395249 | 0.78 | DRD4 (0.71) | PARP1DRD4KDM4EMAPTGAA | |
| SCHEMBL8874381 | 0.77 | KDM4E (0.52) | DRD4KDM4EMAPTGAAHTT | |
| SCHEMBL8875085 | 0.75 | DRD4 (0.53) | PARP1DRD4KDM4EMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5607946-A | Quinolone derivatives as dopamine D4 ligands | MERCK SHARP & DOHME LTD. (GB) | 1997-03-04 | — | — | US | disclosed |