Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.50 |
| ▸ | STAMBP | O95630 | 1/20 | 0.50 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8124745 | 0.86 | NAMPT (0.60) | NAMPTKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL28232648 | 0.81 | LMNA (0.58) | NAMPTKDM4EHTTL3MBTL1PSMD14 | |
| SCHEMBL3647333 | 0.75 | PSMD14 (0.53) | NAMPTKDM4EHTTL3MBTL1PSMD14 | |
| SCHEMBL6330501 | 0.75 | NAMPT (0.50) | GAANAMPTKDM4EALDH1A1HTT | |
| SCHEMBL3893088 | 0.74 | PSMD14 (0.46) | NAMPTPSMD14STAMBPCOPS5KMT2A | |
| SCHEMBL3070030 | 0.74 | — | — | |
| SCHEMBL28469134 | 0.73 | NPC1 (0.55) | GAAKDM4EALDH1A1L3MBTL1KMT2A | |
| SCHEMBL24163103 | 0.72 | EPHX2 (0.52) | NAMPTHTTL3MBTL1PSMD14STAMBP | |
| SCHEMBL24163879 | 0.72 | KMO (0.60) | NAMPTKDM4EALDH1A1PSMD14STAMBP | |
| SCHEMBL18132565 | 0.72 | KMT2A (0.56) | NAMPTKDM4EALDH1A1HTTL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |