Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27768204 | 0.72 | VCP (0.41) | AKT1JAK2JAK1TYK2JAK3 | |
| SCHEMBL28780959 | 0.72 | JAK3 (0.33) | AKT1JAK3HTTNPC1 | |
| SCHEMBL28780956 | 0.70 | AKT2 (0.49) | — | |
| SCHEMBL27768206 | 0.68 | AKT2 (0.45) | AKT1HTTLMNA | |
| SCHEMBL27768076 | 0.68 | PIK3CA (0.46) | NR3C1 | |
| SCHEMBL27747157 | 0.65 | ADRB1 (0.35) | CTSLCTSBCTSKLMNA | |
| SCHEMBL27570826 | 0.64 | CARM1 (0.52) | MAOAMAOBCTSLCTSBCTSS | |
| SCHEMBL27747153 | 0.64 | HTR2C (0.40) | DRD2HTTALDH1A1 | |
| Formamide SCHEMBL28343999 | 0.60 | CARM1 (0.47) | NR3C1MAOAMAOBCTSLCTSB | |
| SCHEMBL2882241 | 0.59 | ENPP1 (0.49) | AKT1ACHESTAT3HTTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101489559-B | Purine and deazapurine derivatives as pharmaceutical compounds | ASTEX THERAPEUTICS LTD | 2012-08-15 | — | — | CN | disclosed |
| CN-101489559-A | Purine and deazapurine derivatives as pharmaceutical compounds | ASTEX THERAPEUTICS LTD (GB) | 2009-07-22 | — | — | CN | disclosed |
| CN-101484173-A | Pharmaceutical combinations of pk inhibitors and other active agents | ASTEX THERAPEUTICS LTD (GB) | 2009-07-15 | — | — | CN | disclosed |