Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 8/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8064415 | 0.83 | CYP3A4 (0.42) | PDE2AIDO1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8064222 | 0.81 | KCNH2 (0.40) | PDE2ASLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8074822 | 0.79 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8072598 | 0.78 | MTNR1B (0.42) | AKR1C3AKR1C2 | |
| SCHEMBL6789942 | 0.74 | IDO1 (0.58) | PDE2AFFAR1IDO1TRPV1DAO | |
| SCHEMBL15133743 | 0.74 | ESR1 (0.44) | PDE2AIDO1DAOSLC6A4CYP3A4 | |
| SCHEMBL18087799 | 0.73 | PDE2A (1.00) | PDE2AIDO1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8074863 | 0.73 | CES2 (0.44) | AKR1C3AKR1C2 | |
| SCHEMBL8079476 | 0.72 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8064216 | 0.71 | NR3C1 (0.40) | — |
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 |