Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL623648 | 1.00 | ALDH1A1 (0.64) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL29422796 | 1.00 | ALDH1A1 (0.64) | ALDH1A1GLATDP1TP53MAPK1 | |
| Water SCHEMBL22325690 | 0.98 | ALDH1A1 (0.62) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL17422018 | 0.97 | ALDH1A1 (0.60) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL30525943 | 0.95 | ALDH1A1 (0.66) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL2712808 | 0.91 | ALDH1A1 (0.70) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL30525942 | 0.90 | ALDH1A1 (0.60) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL30525945 | 0.89 | ALDH1A1 (0.68) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL9505451 | 0.89 | ALDH1A1 (0.55) | ALDH1A1GLATDP1TP53MAPK1 | |
| SCHEMBL394007 | 0.89 | ALDH1A1 (0.55) | ALDH1A1GLATDP1TP53MAPK1 |
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-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 |
| US-5488064-A | ANTIDIABETIC AGENTS, GASTROINTESTINAL AGENTS, ADRENERGIC BLOCKING AGENTS OR STIMULANTS AND TREATMENT OF OBESITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-01-30 | — | — | US | disclosed |