Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634398 | 0.81 | MAP2K4 (0.46) | LMNA | |
| SCHEMBL9321429 | 0.76 | ALDH1A1 (0.75) | ALDH1A1LMNASMN1; SMN2HTTKDM4E | |
| SCHEMBL1713819 | 0.75 | KDM4E (0.63) | ALDH1A1LMNASMN1; SMN2HTTKDM4E | |
| SCHEMBL8377657 | 0.74 | CYP2D6 (0.65) | ALDH1A1LMNASMN1; SMN2HTTKDM4E | |
| SCHEMBL6681439 | 0.73 | ALDH1A1 (0.83) | ALDH1A1LMNASMN1; SMN2HTTKDM4E | |
| SCHEMBL1714940 | 0.73 | KDM4E (0.80) | ALDH1A1KDM4EALOX15MEN1KMT2A | |
| SCHEMBL13800284 | 0.72 | PTGDR2 (0.77) | ALDH1A1KDM4EALOX15MEN1KMT2A | |
| SCHEMBL14979221 | 0.72 | MAP2K4 (0.54) | LMNA | |
| SCHEMBL30275181 | 0.72 | MAP2K4 (0.43) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8299446 | 0.72 | ADRA1D (0.48) | ALDH1A1HTTKDM4EKMT2APKM |
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 |