Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | NCK1 | P16333 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20967279 | 0.78 | CYP1A2 (0.46) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL8154443 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL8150504 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL26205353 | 0.75 | CYP1A2 (0.42) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL7666203 | 0.74 | CYP1A2 (0.52) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL17787999 | 0.73 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL4074829 | 0.72 | CYP2A6 (0.63) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL31484753 | 0.72 | CYP2A6 (0.63) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL5383334 | 0.71 | HPRT1 (0.54) | ALDH1A1HSD17B10KDM4ELMNAGAA | |
| SCHEMBL8155626 | 0.71 | ALDH1A1 (0.32) | ALDH1A1CYP3A4 |
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 |