Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2148999 | 0.87 | ALDH1A1 (0.38) | ADORA2BALDH1A1HTTSMN1; SMN2ADORA2A | |
| SCHEMBL2834183 | 0.76 | TACR2 (0.38) | ALDH1A1HTTSMN1; SMN2KDM4EPLK1 | |
| SCHEMBL2149098 | 0.65 | CNR2 (0.40) | ALDH1A1HTTKDM4EPLK1HPGD | |
| SCHEMBL18708816 | 0.65 | CNR2 (0.42) | PLK1 | |
| SCHEMBL16597177 | 0.62 | PIK3CD (0.43) | ALDH1A1SMN1; SMN2USP2HPGD | |
| SCHEMBL16597173 | 0.62 | PIK3CD (0.41) | ALDH1A1SMN1; SMN2KDM4EUSP2HPGD | |
| SCHEMBL17886525 | 0.62 | MEN1 (0.48) | ALDH1A1KDM4EMAPT | |
| SCHEMBL16572987 | 0.61 | HKDC1 (0.42) | ALDH1A1SMN1; SMN2KDM4EUSP2 | |
| SCHEMBL18131324 | 0.60 | TSHR (0.44) | HTTSMN1; SMN2BTKHPGD | |
| SCHEMBL23570620 | 0.60 | NCF1 (0.49) | ALDH1A1SMN1; SMN2KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | claimed |