Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | PPM1B | O75688 | 1/20 | 0.31 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.31 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PPP5C | P53041 | 1/20 | 0.31 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL16120995 | 1.00 | CA1 (0.55) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL9973225 | 1.00 | CA1 (0.55) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL6854823 | 1.00 | CA1 (0.55) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL7643331 | 1.00 | CA1 (0.55) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL5880374 | 0.89 | CA1 (0.46) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL77346 | 0.89 | CA1 (0.46) | CA1CA9TSHRCYP1A2SMN1; SMN2 | |
| SCHEMBL1491997 | 0.87 | CA1 (0.44) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL9563062 | 0.86 | — | — | |
| SCHEMBL11173078 | 0.82 | CA1 (0.44) | CA1CA9TSHRCYP1A2LMNA | |
| SCHEMBL28730837 | 0.82 | CA1 (0.44) | CA1CA9TSHRCYP1A2LMNA |
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-2011051853-A1 | MANUFACTURING PROCESS FOR PREPARING ENANIOMERICALLY PURE 8- ARYLOCTANOIC ACID DERIVATIVES SUCH AS ALISKIREN | CarboDesign LLC (US) | 2011-05-05 | — | — | WO | disclosed |