Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7958310 | 0.80 | FYN (0.38) | CYP3A4TSHRFYNCLK4DYRK1B | |
| SCHEMBL12247281 | 0.80 | BACE1 (0.30) | — | |
| SCHEMBL7959178 | 0.78 | BACE1 (0.35) | LMNA | |
| SCHEMBL12247405 | 0.74 | BACE1 (0.31) | — | |
| SCHEMBL12247283 | 0.72 | STS (0.36) | CYP3A4TSHRSIGMAR1 | |
| SCHEMBL7949246 | 0.72 | CYP19A1 (0.37) | LMNA | |
| SCHEMBL7959529 | 0.72 | BACE1 (0.36) | DRD2 | |
| SCHEMBL7960150 | 0.71 | ALDH1A1 (0.36) | LMNACYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL7949251 | 0.67 | AR (0.52) | LMNACYP3A4TSHRSIGMAR1KMT2A | |
| SCHEMBL12247402 | 0.66 | STS (0.35) | CYP3A4TSHRSIGMAR1 |
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 |