Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.56 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30884498 | 0.91 | HDAC3 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4782352 | 0.91 | HDAC3 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL3231898 | 0.90 | HDAC3 (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13339837 | 0.89 | HDAC3 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL3491381 | 0.87 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23957116 | 0.85 | ATM (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11114131 | 0.83 | ATM (0.64) | ATMSIGMAR1KDM4EHTTADRA1D | |
| SCHEMBL619987 | 0.83 | ATM (0.64) | ATMSIGMAR1KDM4EHTTADRA1D | |
| SCHEMBL655154 | 0.82 | ATM (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1115177 | 0.82 | KDM4E (0.63) | ATMSIGMAR1KDM4EHTTADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |