Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 12/20 | 0.53 |
| ▸ | MAOA | P21397 | 10/20 | 0.53 |
| ▸ | TOP1 | P11387 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12747715 | 0.88 | MAOB (0.55) | MAOBMAOATOP1KDM1AHRH3 | |
| SCHEMBL8778973 | 0.82 | MAOA (0.56) | MAOBMAOATOP1KDM1AHRH3 | |
| SCHEMBL12747654 | 0.77 | MAOA (0.46) | MAOBMAOANPC1HPGDRAB9A | |
| SCHEMBL8778979 | 0.75 | MAOA (0.56) | MAOBMAOAKDM1AHRH3 | |
| SCHEMBL8778993 | 0.75 | MAOB (0.63) | MAOBMAOATOP1KDM1AHRH3 | |
| SCHEMBL12747660 | 0.74 | MAOB (0.51) | MAOBMAOATOP1KDM1AHRH3 | |
| SCHEMBL11703613 | 0.74 | ALDH1A1 (0.41) | MAOBMAOAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11769184 | 0.73 | MAPT (0.39) | MAOBMAOANPC1RAB9ACA2 | |
| SCHEMBL12747667 | 0.73 | BACE1 (0.50) | MAOBMAOATOP1KDM1AHRH3 | |
| SCHEMBL3408642 | 0.73 | MAOB (0.58) | MAOBMAOATOP1HRH3CREBBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |