Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 9/20 | 0.51 |
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | DRD3 | P35462 | 6/20 | 0.50 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629820 | 0.90 | KDM4E (0.45) | KDM4EALDH1A1MAPTGAADRD4 | |
| SCHEMBL8630660 | 0.87 | TSHR (0.52) | KDM4EALDH1A1MAPTGAADRD4 | |
| SCHEMBL8630558 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTDRD4DRD2DRD3 | |
| SCHEMBL8635583 | 0.82 | DRD2 (0.44) | KDM4EALDH1A1MAPTGAADRD4 | |
| SCHEMBL8798091 | 0.82 | DRD4 (0.62) | KDM4EALDH1A1MAPTGAADRD4 | |
| SCHEMBL8634465 | 0.81 | MAPT (0.51) | KDM4EALDH1A1MAPTGAADRD4 | |
| SCHEMBL8628936 | 0.81 | KDM4E (0.52) | KDM4EALDH1A1MAPTGAADRD2 | |
| SCHEMBL8299074 | 0.78 | PARP1 (0.46) | DRD4DRD2DRD3HTR1ASIGMAR1 | |
| SCHEMBL8635560 | 0.77 | HRH4 (0.49) | KDM4EALDH1A1MAPTDRD4DRD2 | |
| SCHEMBL8651329 | 0.76 | HTR3A (0.46) | KDM4EMAPTDRD4DRD2DRD3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0689539-B1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 1997-12-03 | — | — | EP | claimed |
| EP-0689539-A1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021630-A1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | claimed |
| US-5780475-A | Antipsychotic indazole derivatives | MERCK, SHARP & DOHME LIMITED (GB) | 1998-07-14 | — | — | US | disclosed |
| EP-0689539-B1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 1997-12-03 | — | — | EP | disclosed |
| EP-0689539-A1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-01-03 | — | — | EP | disclosed |
| WO-1994021630-A1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-29 | — | — | WO | disclosed |