Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1479007 | 1.00 | AAK1 (0.49) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL2326825 | 0.92 | AAK1 (0.48) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL1479853 | 0.92 | AAK1 (0.48) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL8481259 | 0.92 | AAK1 (0.56) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL1481829 | 0.89 | AAK1 (0.51) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL2332614 | 0.89 | AAK1 (0.51) | AAK1OPRM1OPRD1CTDSP1LMNA | |
| SCHEMBL2329782 | 0.88 | AAK1 (0.49) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1479062 | 0.88 | AAK1 (0.49) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4157800 | 0.85 | ALDH1A1 (0.56) | AAK1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL5103994 | 0.84 | AAK1 (0.55) | AAK1OPRM1OPRD1CTDSP1LMNA |
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-1771441-B1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2011-08-17 | — | — | EP | disclosed |