Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9270442 | 1.00 | ALDH1A1 (0.43) | ALDH1A1GAABRD4S1PR4ADRA1D | |
| SCHEMBL9266592 | 0.86 | ADRB2 (0.41) | ALDH1A1GAATDP1L3MBTL1 | |
| SCHEMBL9267873 | 0.76 | ADRB3 (0.37) | ALDH1A1GAAADRA1DADRA1AADRA1B | |
| SCHEMBL24225596 | 0.71 | ALDH1A1 (0.44) | ALDH1A1GAABRD4 | |
| SCHEMBL21937370 | 0.71 | ALDH1A1 (0.49) | ALDH1A1GAABRD4HTR2AMEN1 | |
| SCHEMBL9266274 | 0.71 | NPSR1 (0.52) | ALDH1A1ADRA1DADRA1AADRA1BMEN1 | |
| SCHEMBL18783731 | 0.71 | ALDH1A1 (0.50) | ALDH1A1GAA | |
| SCHEMBL6272240 | 0.70 | L3MBTL1 (0.53) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL14933984 | 0.70 | ALDH1A1 (0.47) | ALDH1A1GAAPKMCYP1A2 | |
| SCHEMBL20804977 | 0.70 | FFAR1 (0.46) | ALDH1A1GAAHTR2AKCNH2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5436264-A | Adrenergic blocking agents for vasoconstriction and hypotensive agents | SYNTEX (U.S.A.) INC. (US) | 1995-07-25 | — | — | US | disclosed |