Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 2/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | CFD | P00746 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL12299575 | 0.70 | GPR88 (0.36) | GPR88FFAR2CYP3A4XDHSLC22A12 | |
| SCHEMBL16136563 | 0.64 | GPR88 (0.35) | GPR88XDHSLC22A12CFDF11 | |
| SCHEMBL1822439 | 0.62 | CYP19A1 (0.43) | ABCB1XDHSLC22A12MAOAMAOB | |
| SCHEMBL12300257 | 0.60 | BACE1 (0.38) | — | |
| SCHEMBL12244991 | 0.59 | PGR (0.41) | — | |
| SCHEMBL24328065 | 0.58 | LMNA (0.60) | DCUN1D1 | |
| SCHEMBL3058586 | 0.58 | GRIN2D (0.51) | — | |
| SCHEMBL3690613 | 0.57 | GRIN2D (0.58) | — | |
| SCHEMBL28768129 | 0.57 | XDH (0.40) | FFAR2XDHSLC22A12MCHR1PAX8 | |
| Hydrochloric Acid SCHEMBL27527274 | 0.57 | GRIN2D (0.54) | — |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |