Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27747152 | 0.79 | VCP (0.39) | VCPTAAR1GRIN2BDRD4AKT1 | |
| SCHEMBL27768076 | 0.76 | PIK3CA (0.46) | GRIN2BOPRM1OPRL1 | |
| SCHEMBL1002065 | 0.76 | AKT2 (0.46) | VCPTAAR1GRIN2BDRD4AKT1 | |
| SCHEMBL27768206 | 0.75 | AKT2 (0.45) | AKT1HTT | |
| SCHEMBL20612803 | 0.73 | GRIN2B (0.46) | VCPTAAR1GRIN2BDRD4AKT1 | |
| SCHEMBL27768205 | 0.72 | RPS6KB1 (0.34) | DRD4AKT1JAK2JAK1TYK2 | |
| SCHEMBL27747157 | 0.72 | ADRB1 (0.35) | — | |
| SCHEMBL27747153 | 0.72 | HTR2C (0.40) | HTT | |
| SCHEMBL27768080 | 0.68 | LMNA (0.39) | JAK2JAK3HTT | |
| SCHEMBL7844261 | 0.68 | VCP (0.60) | VCPTAAR1GRIN2BDRD4HTR5A |
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 |