Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971361 | 0.90 | LMNA (0.39) | LMNAABCB1ARABCG2CYP19A1 | |
| SCHEMBL1819232 | 0.88 | MEN1 (0.45) | AKR1B1AKR1B10AKR1A1LMNAABCB1 | |
| SCHEMBL7956191 | 0.85 | AKR1B1 (0.47) | AKR1B1AKR1B10AKR1A1 | |
| SCHEMBL7956715 | 0.84 | AKR1B1 (0.41) | AKR1B1AKR1B10AKR1A1 | |
| SCHEMBL7957786 | 0.79 | AKR1B1 (0.55) | AKR1B1AKR1B10AKR1A1MAOB | |
| SCHEMBL1824125 | 0.79 | SMN1; SMN2 (0.44) | AKR1B1LMNAABCB1ARABCG2 | |
| SCHEMBL7957860 | 0.76 | AKR1B1 (0.48) | AKR1B1AKR1B10AKR1A1KDM4EALDH1A1 | |
| SCHEMBL7957182 | 0.75 | ALOX12 (0.39) | AKR1B1AKR1B10AKR1A1ABCB1AR | |
| SCHEMBL1823243 | 0.75 | AKR1B1 (0.47) | AKR1B1AKR1B10AKR1A1MAOB | |
| SCHEMBL10576219 | 0.74 | AKR1B1 (0.51) | AKR1B1AKR1B10AKR1A1 |
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 |