Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8628742 | 0.89 | DRD4 (0.53) | TSHRGAAHSD17B10DRD4DRD3 | |
| SCHEMBL8629820 | 0.87 | KDM4E (0.45) | TSHRGAADRD4DRD3ALDH1A1 | |
| SCHEMBL8628752 | 0.87 | KDM4E (0.54) | TSHRGAADRD4DRD3ALDH1A1 | |
| SCHEMBL8628174 | 0.87 | HSD17B10 (0.52) | TSHRGAAHSD17B10DRD4DRD3 | |
| SCHEMBL8797247 | 0.81 | DRD4 (0.60) | TSHRGAAHSD17B10DRD4DRD3 | |
| SCHEMBL8304153 | 0.80 | HTR1A (0.48) | GAAALDH1A1MAPTDRD2KDM4E | |
| SCHEMBL8630130 | 0.80 | MAPT (0.47) | TSHRGAAHSD17B10DRD4DRD3 | |
| SCHEMBL8631690 | 0.80 | GAA (0.51) | TSHRGAAHSD17B10DRD4DRD3 | |
| SCHEMBL8635583 | 0.78 | DRD2 (0.44) | GAADRD4DRD3ALDH1A1MAPT | |
| SCHEMBL8628936 | 0.76 | KDM4E (0.52) | TSHRGAAALDH1A1MAPTLMNA |
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 |