Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8794739 | 1.00 | ALDH1A1 (0.62) | ALDH1A1GLATDP1MAPTMAPK1 | |
| SCHEMBL22357196 | 0.87 | ALDH1A1 (0.78) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL679937 | 0.87 | ALDH1A1 (0.78) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL3354689 | 0.85 | SLC6A4 (0.57) | ALDH1A1GLATDP1HTR2CHTR2B | |
| SCHEMBL4175275 | 0.85 | SLC6A4 (0.57) | ALDH1A1GLATDP1HTR2CHTR2B | |
| SCHEMBL8730031 | 0.85 | TDP1 (0.57) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL30628474 | 0.85 | TDP1 (0.57) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL21657603 | 0.85 | TDP1 (0.57) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL8730039 | 0.85 | TDP1 (0.57) | ALDH1A1GLATDP1MAPTTP53 | |
| SCHEMBL29721135 | 0.85 | TDP1 (0.57) | ALDH1A1GLATDP1MAPTTP53 |
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-5541204-A | Aryloxypropanolamine β 3 adrenergic agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0714883-A1 | Aryloxypropanolamine beta 3 adrenergic agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |