Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1983002 | 0.85 | BACE1 (0.40) | CYP3A4MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1983498 | 0.83 | BACE1 (0.47) | CYP3A4MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1979002 | 0.82 | AKR1B1 (0.45) | AKR1B1AKR1B10MAPTAKR1A1 | |
| SCHEMBL1978759 | 0.82 | MEN1 (0.36) | MEN1KMT2A | |
| SCHEMBL1821638 | 0.76 | CTSD (0.47) | AKR1B1CTSDBACE1AKR1B10MAPT | |
| SCHEMBL1977904 | 0.75 | AKR1B1 (0.35) | AKR1B1CTSDBACE1AKR1B10MAPT | |
| SCHEMBL1978480 | 0.74 | KDM4E (0.47) | CYP3A4MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1820315 | 0.72 | AKR1B1 (0.39) | AKR1B1AKR1B10MAPTAKR1A1 | |
| SCHEMBL1978781 | 0.72 | AKR1B1 (0.40) | AKR1B1AKR1B10MAPTAKR1A1 | |
| SCHEMBL1982373 | 0.71 | AKR1B1 (0.46) | AKR1B1AKR1B10MAPTAKR1A1 |
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-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | disclosed |