Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4969719 | 0.84 | MEN1 (0.39) | MEN1KMT2ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL4971591 | 0.80 | ALDH1A1 (0.33) | MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL3604530 | 0.79 | L3MBTL1 (0.40) | MEN1KMT2ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL3604532 | 0.79 | L3MBTL1 (0.40) | MEN1KMT2ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL4970046 | 0.77 | CHRNB2 (0.33) | — | |
| SCHEMBL4969899 | 0.76 | HTR2C (0.30) | SLC6A4 | |
| SCHEMBL4969906 | 0.76 | HTR2C (0.30) | SLC6A4 | |
| SCHEMBL4971484 | 0.75 | — | — | |
| SCHEMBL23462473 | 0.72 | MEN1 (0.67) | MEN1KMT2ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL1862434 | 0.71 | GAA (0.41) | SMN1; SMN2GAAALDH1A1ACHESLC6A4 |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |