Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 7/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR7 | P34969 | 3/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9592984 | 0.95 | LTA4H (0.51) | LTA4HDRD2SLC6A4ADRA1DADRA1A | |
| SCHEMBL9807574 | 0.85 | DRD2 (0.47) | DRD2ACHEHTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9592944 | 0.84 | DRD2 (0.46) | DRD2ACHEHTR2AHTR2CHTR2B | |
| SCHEMBL9592174 | 0.83 | ACHE (0.59) | DRD2ACHEHTR2AHTR1AHTR7 | |
| Methyl Alcohol SCHEMBL9591993 | 0.82 | DRD2 (0.45) | DRD2ACHEHTR2AHTR2CHTR2B | |
| SCHEMBL9593272 | 0.79 | ADRA1D (0.57) | DRD2ADRA1DADRA1AACHEHTR2A | |
| SCHEMBL9807580 | 0.79 | ACHE (0.40) | DRD2ACHEHTR2AHTR2CHTR2B | |
| SCHEMBL10360426 | 0.79 | LTA4H (0.68) | LTA4HDRD2SLC6A4ADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL9593896 | 0.79 | ADRA1D (0.56) | DRD2ADRA1DADRA1AACHEHTR2A | |
| SCHEMBL9472050 | 0.77 | LTA4H (0.68) | LTA4HDRD2SLC6A4ADRA1DADRA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5032598-A | Nitrogens containing heterocyclic compounds as class III antiarrhythmic agents | MERCK & CO., INC. (US) | 1991-07-16 | — | — | US | claimed |