Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 13/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 13/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11670408 | 0.99 | ADRB2 (0.66) | ADRB2ADRB1ADRB3PMP22 | |
| Hydrochloric Acid SCHEMBL11670401 | 0.84 | ADRB2 (0.63) | ADRB2ADRB1ADRB3PMP22 | |
| SCHEMBL11879363 | 0.82 | ADRB2 (0.57) | ADRB2ADRB1ADRB3PMP22 | |
| SCHEMBL11878405 | 0.82 | ADRB3 (0.66) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11881488 | 0.82 | ADRB3 (0.64) | ADRB2ADRB1ADRB3PMP22 | |
| SCHEMBL7724542 | 0.81 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 | |
| Hexoprenaline SCHEMBL598186 | 0.81 | ADRB2 (0.65) | ADRB2ADRB1ADRB3PMP22 | |
| SCHEMBL11744855 | 0.81 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 | |
| SCHEMBL7723769 | 0.81 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 | |
| Sulfonterol SCHEMBL156925 | 0.81 | PMP22 (0.73) | ADRB2ADRB1ADRB3PMP22 |
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 |