Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 15/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2056234 | 0.88 | MAPK1 (0.46) | MAPK1MAPTNPSR1ADRB2ADRB1 | |
| SCHEMBL13100669 | 0.82 | ADRB2 (0.46) | MAPK1MAPTNPSR1ADRB2ADRB1 | |
| SCHEMBL18415171 | 0.82 | MAPK1 (0.41) | MAPK1MAPTNPSR1ADRB2ADRB1 | |
| SCHEMBL13617661 | 0.79 | ADRB2 (0.62) | ADRB2ADRB1ADRB3 | |
| SCHEMBL14620533 | 0.72 | ADRB3 (0.46) | ADRB3SLC6A4DRD3 | |
| SCHEMBL11918930 | 0.72 | ADRB3 (0.46) | ADRB3SLC6A4DRD3 | |
| SCHEMBL226503 | 0.71 | KMT2A (0.57) | MAPK1MAPTNPSR1SLC6A3CYP1A2 | |
| SCHEMBL12433118 | 0.71 | MAPT (0.52) | MAPK1MAPTNPSR1KMT2A | |
| SCHEMBL2308150 | 0.71 | ALDH1A1 (0.61) | TSHR | |
| SCHEMBL20285617 | 0.70 | ADRB2 (0.45) | MAPK1MAPTNPSR1ADRB2ADRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446379-B1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2009-04-29 | — | — | EP | disclosed |