Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 6/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.72 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.72 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8913740 | 0.86 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL8912944 | 0.85 | ADRA1D (0.54) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL8563648 | 0.83 | ADRA1D (0.98) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| SCHEMBL11254741 | 0.81 | DRD2 (0.80) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL11543880 | 0.80 | DRD2 (0.78) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| SCHEMBL1789621 | 0.78 | DRD2 (0.56) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL11545655 | 0.77 | DRD2 (0.54) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| SCHEMBL11546463 | 0.77 | DRD2 (0.65) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| SCHEMBL29922137 | 0.75 | THRB (0.61) | ADRA1DADRA1AADRA1BCYP2D6 | |
| SCHEMBL16026529 | 0.75 | THRB (0.61) | ADRA1DADRA1AADRA1BCYP2D6 |
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 |