Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 18/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 15/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 15/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Cadaverine Tartrate SCHEMBL7638484 | 0.96 | ADRA1A (0.55) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6787204 | 0.93 | ADRA1A (0.58) | ADRA1AADRA1DADRA1B | |
| SCHEMBL6729949 | 0.92 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| SCHEMBL6710985 | 0.91 | ADRA1A (0.71) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6848930 | 0.91 | ADRA1A (0.70) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6782753 | 0.87 | ADRA1A (0.51) | ADRA1AADRA1DADRA1B | |
| SCHEMBL6782417 | 0.86 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| SCHEMBL6787228 | 0.86 | ADRA1A (0.58) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| SCHEMBL8134486 | 0.85 | ADRA1A (0.65) | ADRA1AADRA1DADRA1BMCHR1DRD2 | |
| Hydrochloric Acid SCHEMBL6782195 | 0.85 | ADRA1A (0.63) | ADRA1AADRA1DADRA1BMCHR1DRD2 |
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-6410554-B1 | ADRENERGIC ANTAGONIST | MERCK & CO., INC. | 2002-06-25 | — | — | US | disclosed |
| US-6320049-B1 | PREPARING 1-AMINOCARBONYL-5-ACYLDEHYDROPYRIMIDONES BY DEPROTONATING 5-ACYLDIHYDROPYRIMIDINONES COMPOUND AND THEN COUPLING THE DEPROTONATED DERIVATIVE WITH A PRIMARY AMINE | MERCK & CO., INC. | 2001-11-20 | — | — | US | disclosed |
| US-6207444-B1 | CONTACTING RACEMIC COMPOUND WITH PROTEINASE K, SUBTILISIN, OR A PROTEASE ENZYME FROM METARHIZIUM TO FORM ENANTIOMORPH; CHEMICAL INTERMEDIATE OF DRUG WHICH TREATS BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2001-03-27 | — | — | US | disclosed |