Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLS | O94925 | 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 | |
|---|---|---|---|---|
| SCHEMBL19361198 | 0.80 | BCAT2 (0.40) | BCAT2ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL13840702 | 0.80 | BCAT2 (0.40) | BCAT2ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL22826941 | 0.80 | ADRA2A (0.41) | BCAT2ADRB2ADRB1NFKB1HIF1A | |
| SCHEMBL14769096 | 0.75 | BCAT2 (0.68) | BCAT2CYP2D6AOC3NPC1RAB9A | |
| SCHEMBL3921879 | 0.75 | BCAT2 (0.68) | BCAT2CYP2D6AOC3NPC1RAB9A | |
| SCHEMBL19519600 | 0.74 | SLC18A3 (0.43) | SLC18A3SIGMAR1HTTADRB2ADRB1 | |
| SCHEMBL7148676 | 0.74 | SLC18A3 (0.43) | SLC18A3SIGMAR1HTTADRB2ADRB1 | |
| SCHEMBL11485515 | 0.74 | SLC18A3 (0.43) | SLC18A3SIGMAR1HTTADRB2ADRB1 | |
| SCHEMBL30154042 | 0.74 | SLC18A3 (0.43) | SLC18A3SIGMAR1HTTADRB2ADRB1 | |
| SCHEMBL21556906 | 0.72 | BCAT2 (0.46) | BCAT2HIF1AAOC3BLMIDO1 |
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-9550000-B2 | Compositions, methods, and systems for the synthesis and use of imaging agents | LANTHEUS MEDICAL IMAGING, INC. (US) | 2017-01-24 | — | — | US | disclosed |