Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8257096 | 1.00 | TSHR (0.41) | TSHRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7558696 | 0.74 | PARP1 (0.42) | TSHRL3MBTL1ALDH1A1ABCB1ABCG2 | |
| SCHEMBL7558692 | 0.74 | PARP1 (0.42) | TSHRL3MBTL1ALDH1A1ABCB1ABCG2 | |
| SCHEMBL8232622 | 0.74 | PARP1 (0.42) | TSHRL3MBTL1ALDH1A1ABCB1ABCG2 | |
| SCHEMBL19386648 | 0.66 | ALDH1A1 (0.44) | ALDH1A1PIK3CDBLMHPGD | |
| SCHEMBL9197399 | 0.65 | ABCB1 (0.41) | TSHRL3MBTL1ABCB1ABCG2PARP1 | |
| SCHEMBL9220425 | 0.65 | L3MBTL1 (0.45) | TSHRL3MBTL1ALDH1A1ABCB1ABCG2 | |
| SCHEMBL8028682 | 0.64 | ACHE (0.44) | TSHRALDH1A1ABCB1PIK3CDRECQL | |
| SCHEMBL7338840 | 0.63 | ALDH1A1 (0.61) | CYP2D6CYP2C9CYP2C19ALDH1A1BLM | |
| SCHEMBL9873550 | 0.63 | ALDH1A1 (0.45) | L3MBTL1ALDH1A1PIK3CDBLMHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006120544-A1 | β-AMINO ACID DERIVATIVES | PFIZER LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |