Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.33 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CPB1 | P15086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3634630 | 0.86 | MAPT (0.38) | TP53PLK1ESR1 | |
| SCHEMBL2148966 | 0.84 | TP53 (0.51) | TP53ALDH1A1GPBAR1 | |
| SCHEMBL1550815 | 0.82 | TP53 (0.41) | TP53ALDH1A1TRPM8CPB1 | |
| SCHEMBL29009675 | 0.73 | TP53 (0.41) | TP53ALDH1A1TRPM8 | |
| SCHEMBL2149620 | 0.70 | TP53 (0.51) | TP53ALDH1A1GAA | |
| SCHEMBL4504893 | 0.69 | ALDH1A1 (0.48) | ALDH1A1GAAAKR1B1 | |
| SCHEMBL5163919 | 0.68 | BID (0.51) | PLK1 | |
| SCHEMBL2336044 | 0.68 | AKR1B1 (0.62) | ALDH1A1AKR1B1 | |
| SCHEMBL3633764 | 0.68 | POLQ (0.53) | TP53 | |
| SCHEMBL8477197 | 0.66 | ALDH1A1 (0.48) | TP53ALDH1A1GAASLC16A3AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |