Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6325765 | 0.94 | ALDH1A1 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6324028 | 0.94 | HPGD (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6327904 | 0.94 | HPGD (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6326570 | 0.93 | TSHR (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6334127 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6326417 | 0.93 | TSHR (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6334322 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6323563 | 0.90 | TSHR (0.57) | HPGDALDH1A1GAAKMT2AMEN1 | |
| SCHEMBL6332451 | 0.90 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD | |
| SCHEMBL6332801 | 0.90 | HPGD (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6924284-B2 | PARP inhibitors | ICOS CORPORATION (US) | 2005-08-02 | — | — | US | disclosed |