Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PPIA | P62937 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8155261 | 0.88 | ALDH1A1 (0.40) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL8147607 | 0.88 | CYP1A2 (0.42) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL8155400 | 0.88 | ALDH1A1 (0.40) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL8149422 | 0.88 | CYP1A2 (0.42) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL3175084 | 0.85 | TSHR (0.48) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL29804082 | 0.85 | TSHR (0.48) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| Bromide SCHEMBL4989837 | 0.83 | TSHR (0.47) | TSHRCYP3A4ALDH1A1RECQLGAA | |
| SCHEMBL8147363 | 0.82 | TSHR (0.50) | TSHRCYP3A4ALDH1A1RECQLMAPK1 | |
| SCHEMBL8150135 | 0.82 | TSHR (0.50) | TSHRCYP3A4ALDH1A1RECQLMAPK1 | |
| SCHEMBL8141710 | 0.80 | ALDH1A1 (0.45) | TSHRCYP3A4ALDH1A1RECQLGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |