Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11184048 | 0.99 | SIGMAR1 (0.59) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11257702 | 0.92 | SIGMAR1 (0.71) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL863908 | 0.90 | SIGMAR1 (0.71) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL864155 | 0.83 | SIGMAR1 (0.79) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL11193368 | 0.82 | SIGMAR1 (0.77) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11246888 | 0.79 | DRD2 (0.72) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2344239 | 0.79 | SIGMAR1 (0.56) | SIGMAR1DRD2CYP2D6CYP3A4TSHR | |
| SCHEMBL4211897 | 0.79 | DRD2 (0.69) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL10502428 | 0.78 | SIGMAR1 (0.40) | SIGMAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6263041 | 0.76 | SIGMAR1 (0.54) | SIGMAR1DRD2CYP2D6CYP3A4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |