Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6402830 | 1.00 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6404383 | 1.00 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6401756 | 0.86 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6407995 | 0.86 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6404167 | 0.86 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6406235 | 0.85 | KDM4E (0.37) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL13899141 | 0.85 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6401669 | 0.83 | PKM (0.53) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6403458 | 0.83 | PKM (0.53) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL6408007 | 0.83 | PKM (0.53) | KDM4EALDH1A1CYP1A2POLBCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1411933-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SmithKline Beecham Corporation (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003013518-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003013518-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |