Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | GPR17 | Q13304 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14905830 | 0.78 | FKBP1A (0.74) | FKBP1AALDH1A1LMNAMAPK1EPHX2 | |
| SCHEMBL19732136 | 0.76 | MAPT (0.53) | ALDH1A1SMN1; SMN2MAPTLMNACYP1A2 | |
| SCHEMBL696233 | 0.76 | MAPT (0.51) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL17813139 | 0.74 | MAPT (0.48) | ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2 | |
| SCHEMBL2105567 | 0.73 | FKBP1A (0.42) | FKBP1AALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL695456 | 0.73 | FKBP1A (0.42) | FKBP1AALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL28089587 | 0.73 | FKBP1A (0.56) | FKBP1AALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL8084718 | 0.72 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL2482873 | 0.72 | HPGD (0.56) | ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2 | |
| SCHEMBL28493144 | 0.71 | AR (0.55) | SMN1; SMN2MAPT |
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 |