Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 15/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 12/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13799237 | 0.91 | ADRB3 (0.50) | ADRB2ADRB3ADRB1 | |
| Hydrochloric Acid SCHEMBL11750674 | 0.86 | ADRB2 (0.56) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11670126 | 0.85 | ADRB2 (0.57) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11672728 | 0.85 | ADRB2 (0.55) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11669746 | 0.83 | ADRB3 (0.60) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11670110 | 0.82 | ADRB2 (0.52) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11671740 | 0.81 | ADRB2 (0.61) | ADRB2ADRB3ADRB1 | |
| Hydrochloric Acid SCHEMBL11744911 | 0.80 | ADRB2 (0.60) | ADRB2ADRB3ADRB1 | |
| SCHEMBL4427576 | 0.80 | ADRB3 (0.64) | ADRB2ADRB3ADRB1 | |
| Carbuterol SCHEMBL29393729 | 0.79 | ADRB2 (0.58) | ADRB2ADRB3ADRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4024281-A | N,N-bis[2-(3-substituted-4-hydroxyphenyl)-ethyl or -2-hydroxyethyl]-polymethylenediamines | SMITHKLINE CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |
| US-3933913-A | N,N'-bis[3-substituted-4-hydroxypheyl)-2-hydroxyethyl)]-polymethylenediamines | SMITHKLINE CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |