Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1008032 | 0.93 | ALDH1A1 (0.44) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12666937 | 0.90 | TDP1 (0.45) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12674203 | 0.88 | TDP1 (0.43) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12666935 | 0.86 | TDP1 (0.45) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1007176 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12674154 | 0.85 | TDP1 (0.43) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1006668 | 0.81 | TDP1 (0.47) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1892781 | 0.81 | TDP1 (0.45) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1007587 | 0.80 | ADORA3 (0.47) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1008127 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HTTTDP1LMNATSHR |
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-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |