Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19772099 | 1.00 | PDE2A (0.48) | PDE2ACES2CES1GSK3BACP3 | |
| SCHEMBL16230724 | 1.00 | PDE2A (0.48) | PDE2ACES2CES1GSK3BACP3 | |
| SCHEMBL19592298 | 0.83 | PDE2A (0.46) | PDE2ACES2CES1ACP3AKR1C3 | |
| SCHEMBL28666087 | 0.81 | PDE2A (0.38) | PDE2AALDH1A1TSHRAKR1C3AKR1C2 | |
| SCHEMBL18387217 | 0.81 | TSHR (0.46) | PDE2AALDH1A1TSHRAKR1C3AKR1C2 | |
| SCHEMBL22402532 | 0.80 | PDE2A (0.47) | PDE2ACES2CES1ACP3ALDH1A1 | |
| SCHEMBL23060228 | 0.79 | PDE2A (0.46) | PDE2ACES2CES1ACP3ALDH1A1 | |
| SCHEMBL13328621 | 0.79 | PDE2A (0.50) | PDE2ACES2CES1ACP3ALDH1A1 | |
| SCHEMBL12086293 | 0.79 | PDE2A (0.50) | PDE2ACES2CES1ACP3ALDH1A1 | |
| SCHEMBL13110238 | 0.79 | PDE2A (0.46) | PDE2ACES2CES1ACP3ALDH1A1 |
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-9868748-B2 | Thiazolopyrrolidine inhibitors of ROR- γ | VITAE PHARMACEUTICALS, INC. (US) | 2018-01-16 | — | — | US | disclosed |