Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13690236 | 0.79 | PTGS1 (0.36) | KIF11ALDH1A1HSD17B10CA12CA2 | |
| SCHEMBL21326414 | 0.78 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TSHRCYP3A4ALOX15 | |
| SCHEMBL8426023 | 0.78 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TSHRCYP3A4ALOX15 | |
| SCHEMBL28172770 | 0.75 | — | — | |
| SCHEMBL153943 | 0.68 | TSHR (0.67) | KIF11ALDH1A1RECQLHSD17B10CA12 | |
| SCHEMBL26431616 | 0.67 | MAPT (0.39) | CA12CA2CA1CA9MAPT | |
| SCHEMBL19567347 | 0.67 | ALDH1A1 (0.36) | KIF11ALDH1A1RECQLHSD17B10CA12 | |
| SCHEMBL22700107 | 0.66 | MAPT (0.44) | ALDH1A1RECQLCA12CA2CA1 | |
| SCHEMBL130264 | 0.66 | KIF11 (0.86) | KIF11ALDH1A1CA12CA2CA1 | |
| Hydrochloric Acid SCHEMBL2801770 | 0.65 | TSHR (0.62) | KIF11ALDH1A1RECQLHSD17B10CA12 |
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-2009109999-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |