Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 2/20 | 0.40 |
| ▸ | EDNRA | P25101 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 2/20 | 0.37 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29285411 | 0.78 | MAPK1 (0.44) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL19772569 | 0.75 | EDNRB (0.44) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL19926520 | 0.73 | MEN1 (0.42) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL29797969 | 0.71 | GPR3 (0.46) | MEN1KMT2ACYP1A2POLBBCHE | |
| SCHEMBL4359049 | 0.71 | GPR3 (0.46) | MEN1KMT2ACYP1A2POLBBCHE | |
| SCHEMBL28619081 | 0.69 | CA1 (0.40) | EDNRBEDNRAMEN1KMT2AMAPK1 | |
| SCHEMBL6903914 | 0.67 | MAPK1 (0.67) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL13951178 | 0.67 | MEN1 (0.35) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL7959774 | 0.65 | MAPK1 (0.44) | EDNRBEDNRAMEN1KMT2ACDC25B | |
| SCHEMBL12460888 | 0.65 | EDNRB (0.43) | EDNRBEDNRAMEN1KMT2ACDC25B |
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-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |