Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16635667 | 0.94 | AKR1C3 (0.40) | AKR1C3KDM4EMAPTKMT2AUSP2 | |
| SCHEMBL16635950 | 0.80 | AKR1C3 (0.44) | AKR1C3KDM4EMAPTKMT2AUSP2 | |
| SCHEMBL16793360 | 0.73 | PANK3 (0.38) | ALDH1A1 | |
| SCHEMBL16635687 | 0.72 | F11 (0.44) | KDM4EALDH1A1ABHD6F10SMN1; SMN2 | |
| SCHEMBL16635824 | 0.71 | AKR1C3 (0.41) | AKR1C3KDM4EMAPTKMT2AUSP2 | |
| SCHEMBL16635670 | 0.68 | AKR1C3 (0.40) | AKR1C3MAPTKMT2AUSP2DRD2 | |
| SCHEMBL1235260 | 0.67 | KDM4E (0.59) | AKR1C3KDM4EMAPTKMT2AUSP2 | |
| SCHEMBL20639966 | 0.66 | AKR1C3 (0.58) | AKR1C3MAPTKMT2AUSP2ALDH1A1 | |
| SCHEMBL20640032 | 0.66 | MLYCD (0.50) | AKR1C3KDM4EMAPTKMT2AUSP2 | |
| SCHEMBL23624939 | 0.64 | MAPT (0.55) | KDM4EMAPTKMT2AUSP2ALDH1A1 |
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-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |