Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 8/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9773045 | 0.82 | ADRB3 (0.47) | ADRB2ADRB1ALDH1A1CYP2D6LMNA | |
| SCHEMBL9773053 | 0.82 | ADRB3 (0.47) | ADRB2ADRB1ALDH1A1CYP2D6LMNA | |
| SCHEMBL9769376 | 0.81 | ADRB2 (0.46) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9769372 | 0.81 | ADRB2 (0.46) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL10800431 | 0.80 | ADRB2 (0.41) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9769364 | 0.77 | ADRB2 (0.33) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9769349 | 0.77 | ADRB2 (0.33) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9769369 | 0.77 | ADRB2 (0.33) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9769352 | 0.77 | ADRB2 (0.33) | ADRB2ADRA1AADRA1DADRA1BADRB1 | |
| SCHEMBL9773077 | 0.76 | ADRB3 (0.58) | ADRB2ADRB1ADRB3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4816457-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES | MERCK & CO., INC., A CORP. OF NJ | 1989-03-28 | — | — | US | disclosed |
| US-4686222-A | ADRENERGIC BLOCKERS, BRONCHODILATORS | MERCK & CO., INC. (US) | 1987-08-11 | — | — | US | disclosed |
| US-4568679-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR AGENTS, REDUCING INTRAOCULAR PRESSURE | MERCK & CO., INC. (US) | 1986-02-04 | — | — | US | disclosed |
| EP-0105053-A1 | Aralkylaminoethanol heterocyclic compounds | MERCK & CO. INC. (US) | 1984-04-11 | — | — | EP | disclosed |