Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.30 |
| ▸ | GRK6 | P43250 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4276128 | 0.81 | DAO (0.34) | HCAR2PARP1ALDH1A1GLATNFSF11 | |
| SCHEMBL3202467 | 0.73 | MAPK1 (0.60) | SMN1; SMN2 | |
| SCHEMBL28044394 | 0.72 | HCAR2 (0.44) | HCAR2ALDH1A1 | |
| SCHEMBL27865531 | 0.71 | CYP3A4 (0.40) | HCAR2PARP1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27974432 | 0.71 | LMNA (0.36) | HCAR2PARP1ALDH1A1GLATNFSF11 | |
| SCHEMBL27633318 | 0.70 | HCAR2 (0.36) | HCAR2PARP1ALDH1A1F2GLA | |
| SCHEMBL27864491 | 0.69 | MAPK1 (0.38) | HCAR2TNFSF11 | |
| SCHEMBL4414675 | 0.69 | DYRK1A (0.35) | PARP1ALDH1A1SMN1; SMN2TNFSF11 | |
| Hydrochloric Acid SCHEMBL27848505 | 0.68 | DYRK1A (0.34) | PARP1ALDH1A1SMN1; SMN2TNFSF11 | |
| SCHEMBL16348508 | 0.67 | PTPN1 (0.46) | PTPN1ALDH1A1F2GLAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263932-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |