Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 6/20 | 0.40 |
| ▸ | THRA | P10827 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL18805515 | 0.89 | AKR1B1 (0.48) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL21273844 | 0.89 | CA2 (0.50) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL18805516 | 0.89 | AKR1B1 (0.48) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL868125 | 0.85 | CA2 (0.50) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL27830212 | 0.80 | RXRA (0.41) | CA2AKR1B1THRBKDM4ERGS12 | |
| SCHEMBL1244868 | 0.80 | THRB (0.43) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL625883 | 0.80 | PNMT (0.56) | PNMTTSHR | |
| SCHEMBL334919 | 0.78 | HCAR1 (0.50) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL583915 | 0.78 | AKR1B1 (0.60) | CA2AKR1B1THRBTHRAKDM4E | |
| SCHEMBL27809833 | 0.77 | THRB (0.41) | CA2AKR1B1THRBTHRAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102625808-A | Spirocyclic amide derivatives | ASTRAZENECA AB | 2012-08-01 | — | — | CN | disclosed |
| CN-102083839-A | Compound (I) | ASTRAZENECA AB | 2011-06-01 | — | — | CN | disclosed |