Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1145885 | 0.77 | MBOAT4 (0.39) | MBOAT4KDM4EALDH1A1L3MBTL1RORC | |
| SCHEMBL13141087 | 0.77 | MBOAT4 (0.42) | MBOAT4KDM4EALDH1A1L3MBTL1RORC | |
| SCHEMBL14894139 | 0.77 | KDM4E (0.39) | MBOAT4KDM4EALDH1A1L3MBTL1HPGD | |
| SCHEMBL1145890 | 0.77 | KDM4E (0.42) | MBOAT4KDM4EALDH1A1L3MBTL1RORC | |
| SCHEMBL7284095 | 0.75 | MBOAT4 (0.38) | MBOAT4KDM4EALDH1A1 | |
| SCHEMBL27936928 | 0.75 | ESR1 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL28259334 | 0.75 | ALDH1A1 (0.44) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL30832037 | 0.75 | MBOAT4 (0.43) | MBOAT4KDM4EALDH1A1L3MBTL1HPGD | |
| SCHEMBL450943 | 0.74 | KDM4E (0.42) | MBOAT4KDM4EALDH1A1L3MBTL1HPGD | |
| SCHEMBL28577504 | 0.74 | MMP2 (0.40) | MBOAT4ALDH1A1MMP2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103328486-B | Fused aminodihydrothiazine derivatives useful as bace inhibitors | 卫材R&D管理有限公司 | 2016-08-17 | — | — | CN | disclosed |