Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 3/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL696225 | 0.91 | KMT2A (0.37) | EPHX2MAPTFPR2PROKR1LMNA | |
| SCHEMBL696150 | 0.88 | FKBP1A (0.40) | CTSSFKBP1AMAPTALDH1A1 | |
| SCHEMBL696304 | 0.83 | FKBP1A (0.39) | CTSSFKBP1AMAPTL3MBTL1FAAH | |
| SCHEMBL695533 | 0.82 | OPRM1 (0.41) | EPHX2CTSSFKBP1AMAPTLMNA | |
| SCHEMBL695720 | 0.80 | CTSS (0.37) | CTSSFKBP1A | |
| SCHEMBL694848 | 0.79 | CTSS (0.36) | CTSSMAPTLMNATP53ALDH1A1 | |
| SCHEMBL695190 | 0.79 | HCRTR1 (0.39) | CYP3A4CTSSMAPTFPR2LMNA | |
| SCHEMBL695528 | 0.79 | CCR4 (0.36) | FKBP1AKMT2AALDH1A1MEN1 | |
| SCHEMBL3724272 | 0.77 | FKBP1A (0.37) | EPHX2FKBP1AL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL3721306 | 0.76 | CTSS (0.34) | CTSSKMT2AALDH1A1 |
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-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |