Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | KYNU | Q16719 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676611 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6244072 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6676601 | 0.79 | ADRB3 (0.41) | CYP1A2CYP2D6ADRB3ADRB2ADRB1 | |
| SCHEMBL6242570 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28425782 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL30782003 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6242576 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL6266344 | 0.75 | ADRB3 (0.42) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27656181 | 0.72 | IDO1 (0.39) | ADRB3ADRB2ADRB1KYNUMTOR | |
| SCHEMBL6677113 | 0.71 | HSD11B1 (0.42) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |