Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8064216 | 0.84 | NR3C1 (0.40) | — | |
| SCHEMBL8078157 | 0.83 | CES2 (0.37) | CES2CES1ADRB3 | |
| SCHEMBL30903827 | 0.81 | CES2 (0.53) | CES2CES1PDPK1MMESHBG | |
| SCHEMBL3897101 | 0.81 | CES2 (0.53) | CES2CES1PDPK1MMESHBG | |
| SCHEMBL8077682 | 0.80 | LMNA (0.41) | CES2CES1SHBGADRB3AKR1C3 | |
| SCHEMBL8077592 | 0.80 | CES2 (0.44) | CES2CES1 | |
| SCHEMBL8074822 | 0.79 | SLC6A2 (0.43) | CES2CES1 | |
| SCHEMBL2755399 | 0.79 | LMNA (0.44) | ADRB3 | |
| SCHEMBL8064222 | 0.79 | KCNH2 (0.40) | — | |
| SCHEMBL8064415 | 0.78 | CYP3A4 (0.42) | CES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6166072-A | Amino acid derivatives | ALLELIX NEUROSCIENCE, INC. (CA) | 2000-12-26 | — | — | US | disclosed |
| WO-1999034790-A1 | GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-07-15 | — | — | WO | disclosed |