Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19190251 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CPA1CA1CA2MAPT | |
| SCHEMBL6776556 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CA1CA2FDPSTSHR | |
| SCHEMBL3098299 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CPA1LMNACYP3A4TSHR | |
| SCHEMBL2833774 | 0.76 | SPHK1 (0.41) | ALDH1A1SPHK1CA1CA2CYP2D6 | |
| SCHEMBL15929852 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CPA1CA1CA2TSHR | |
| SCHEMBL26104369 | 0.74 | SPHK1 (0.50) | ALDH1A1SPHK1CA2CYP2D6GMNN | |
| SCHEMBL6261483 | 0.72 | NFKB1 (0.48) | ALDH1A1CA1 | |
| SCHEMBL22115923 | 0.72 | SPHK1 (0.48) | ALDH1A1SPHK1CYP2D6GMNNLMNA | |
| SCHEMBL22115909 | 0.72 | SPHK1 (0.48) | ALDH1A1SPHK1CYP2D6GMNNLMNA | |
| SCHEMBL22115915 | 0.72 | SPHK1 (0.48) | ALDH1A1SPHK1CYP2D6GMNNLMNA |
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-0759917-A1 | NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES | GILEAD SCIENCES, INC. (US) | 1997-03-05 | — | — | EP | disclosed |