Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8797634 | 0.88 | SLC6A3 (0.49) | ACHESIGMAR1ABCB1ABCC1ABCG2 | |
| SCHEMBL6977832 | 0.86 | KDM4E (0.53) | ACHEALDH1A1MAPTHTTKDM4E | |
| SCHEMBL8627719 | 0.85 | DRD4 (0.58) | MAP4K4NTRK1FLT3ALDH1A1MAPT | |
| SCHEMBL18080912 | 0.84 | HTR6 (0.56) | ACHEMC4RFLT3KDM4ELMNA | |
| SCHEMBL1514899 | 0.84 | SIGMAR1 (0.49) | ACHESIGMAR1MAP4K4NTRK1FLT3 | |
| SCHEMBL20012646 | 0.84 | KMT2A (0.45) | ACHEALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL6989630 | 0.83 | ACHE (0.64) | ACHE | |
| SCHEMBL8299035 | 0.83 | ACHE (0.58) | ACHEDRD4DRD2DRD3 | |
| SCHEMBL9778508 | 0.82 | ALDH1A1 (0.59) | ACHESIGMAR1MAP4K4NTRK1FLT3 | |
| SCHEMBL20008970 | 0.81 | PARP1 (0.42) | ACHEALDH1A1KDM4EKMT2AGAA |
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 |