Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15221379 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15211861 | 0.87 | ANPEP (0.50) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15221376 | 0.87 | ANPEP (0.50) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15221406 | 0.87 | ANPEP (0.50) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15211791 | 0.87 | ANPEP (0.50) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15221392 | 0.87 | ANPEP (0.50) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL16338335 | 0.86 | ANPEP (0.51) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15211533 | 0.86 | ANPEP (0.51) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15212209 | 0.79 | CNR1 (0.43) | ALDH1A1CYP3A4MAPK1MMP2ANPEP | |
| SCHEMBL15211535 | 0.78 | LTA4H (0.42) | ALDH1A1CYP3A4MMP2ANPEPKDM4E |
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-2817291-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124335-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-29 | — | — | WO | disclosed |