Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 4/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
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 SCHEMBL8912944 | 0.99 | ADRA1D (0.54) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| SCHEMBL8913027 | 0.86 | ADRA1D (0.72) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| SCHEMBL8562049 | 0.85 | ADRA1D (0.77) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL8564516 | 0.84 | ADRA1D (0.76) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL8913401 | 0.81 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BKCNH2 | |
| SCHEMBL8914175 | 0.75 | SIGMAR1 (0.60) | SIGMAR1DRD2HTR2AHDAC3HDAC4 | |
| SCHEMBL11246888 | 0.75 | DRD2 (0.72) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL11184048 | 0.74 | SIGMAR1 (0.59) | SIGMAR1DRD2HTR2AHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL8569021 | 0.73 | ADRA1D (0.81) | ADRA1DADRA1AADRA1BKCNH2HDAC3 | |
| Hydrochloric Acid SCHEMBL8563959 | 0.73 | ADRA1D (0.79) | ADRA1DADRA1AADRA1BKCNH2HDAC3 |
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 |