Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 10/20 | 0.81 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.81 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.81 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.81 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.81 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL10718998 | 0.90 | ADRB2 (0.67) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Denopamine SCHEMBL218640 | 0.90 | ADRB2 (1.00) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Denopamine SCHEMBL29964546 | 0.90 | ADRB2 (1.00) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL11710152 | 0.90 | ADRB2 (0.81) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Denopamine SCHEMBL218641 | 0.90 | ADRB2 (1.00) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Denopamine SCHEMBL4542605 | 0.90 | ADRB2 (1.00) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL10720260 | 0.89 | ADRB2 (0.65) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Denopamine SCHEMBL7338329 | 0.89 | ADRB2 (0.97) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL11257835 | 0.88 | ADRB2 (1.00) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11710346 | 0.88 | ADRB2 (0.78) | ADRB2ADRB1SLC6A4SLC6A3ALDH1A1 |
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-4172890-A | CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |
| US-4108989-A | TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |
| US-4011319-A | STIMULATING DOPAMINE RECEPTORS, RENAL VASODILATORS, DIURETICS | SMITHKLINE CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |