Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667709 | 0.86 | CHRM3 (0.34) | CHRM3TAAR1NPC1RAB9AADRA2A | |
| SCHEMBL22978805 | 0.83 | CHRM3 (0.36) | CHRM3TAAR1NPC1RAB9ACES2 | |
| SCHEMBL28298133 | 0.83 | TAAR1 (0.39) | CHRM3TAAR1NPC1RAB9A | |
| SCHEMBL15066609 | 0.81 | TAAR1 (0.33) | CHRM3TAAR1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL28704548 | 0.79 | TAAR1 (0.32) | CHRM3TAAR1ADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL28698065 | 0.79 | TAAR1 (0.32) | CHRM3TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL1492956 | 0.77 | — | — | |
| SCHEMBL2975836 | 0.75 | — | — | |
| SCHEMBL550395 | 0.74 | TAAR1 (0.50) | CHRM3TAAR1NPC1RAB9A | |
| SCHEMBL25710862 | 0.74 | CHRM3 (0.33) | CHRM3TAAR1CES2CES1LCK |
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-2002081424-A2 | CHEMICAL COMPOUNDS DERIVED FROM OCTOPAMINE AND THEIR USES AS BETA 3-ADRENERGIC AGONISTS | MALAK JEAN CLEMENT EDOUARD GHI (BE) | 2002-10-17 | — | — | WO | disclosed |