Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7605113 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL7598343 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL6255837 | 0.76 | LMNA (0.54) | ALDH1A1PRSS1PRSS2PRSS3DGKA | |
| SCHEMBL4551030 | 0.76 | LMNA (0.54) | ALDH1A1PRSS1PRSS2PRSS3DGKA | |
| SCHEMBL8376851 | 0.76 | ALDH1A1 (0.52) | ALDH1A1FAAHATMDGKAMAPT | |
| SCHEMBL15910275 | 0.76 | ALDH1A1 (0.52) | ALDH1A1FAAHATMDGKAMAPT | |
| SCHEMBL28501262 | 0.76 | ALDH1A1 (0.52) | ALDH1A1FAAHATMDGKAMAPT | |
| SCHEMBL1681497 | 0.76 | ALDH1A1 (0.52) | ALDH1A1FAAHATMDGKAMAPT | |
| SCHEMBL27688771 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP3A4FAAHCYP1A2CYP2C19 | |
| SCHEMBL7608496 | 0.75 | ALOX15 (0.45) | ALDH1A1CYP1A2CYP2C19KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465862-A1 | CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS | SmithKline Beecham Corporation (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003062192-A1 | CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-07-31 | — | — | WO | disclosed |