Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2709687 | 0.82 | KDM4E (0.57) | ALDH1A1KDM4EMAPTCYP1A2NOTUM | |
| SCHEMBL2711532 | 0.78 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTCYP1A2LMNA | |
| SCHEMBL2710495 | 0.77 | KDM4E (0.68) | ALDH1A1KDM4ECYP1A2LMNATDP1 | |
| SCHEMBL2711076 | 0.76 | KMT2A (0.35) | ALDH1A1KDM4EMAPTNOTUMLMNA | |
| SCHEMBL2727661 | 0.74 | GLRA3 (0.43) | ALDH1A1KDM4EMAPTKMT2AHPGD | |
| SCHEMBL3853794 | 0.72 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPTCYP1A2LMNA | |
| SCHEMBL30614528 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2LMNATDP1 | |
| SCHEMBL20963824 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2LMNATDP1 | |
| SCHEMBL29278611 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2LMNATDP1 | |
| SCHEMBL7225274 | 0.71 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTCYP1A2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |