Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 10/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 12/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
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 SCHEMBL11750674 | 0.86 | ADRB2 (0.56) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11670126 | 0.86 | ADRB2 (0.57) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11757679 | 0.85 | ADRB2 (0.58) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11816799 | 0.82 | ADRB3 (0.63) | ADRB2ADRB3ADRB1KDM4EMEN1 | |
| SCHEMBL11670110 | 0.82 | ADRB2 (0.52) | ADRB2ADRB3ADRB1CHRM3 | |
| SCHEMBL11671740 | 0.79 | ADRB2 (0.61) | ADRB2ADRB3ADRB1CHRM3CYP1A2 | |
| SCHEMBL13799237 | 0.79 | ADRB3 (0.50) | ADRB2ADRB3ADRB1DRD2DRD1 | |
| Hydrochloric Acid SCHEMBL11669931 | 0.79 | ADRB3 (0.71) | ADRB2ADRB3 | |
| SCHEMBL11669746 | 0.78 | ADRB3 (0.60) | ADRB2ADRB3ADRB1 | |
| SCHEMBL11747553 | 0.78 | ADRB3 (0.74) | ADRB2ADRB3 |
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 |