Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10033104 | 0.87 | MEN1 (0.38) | ALDH1A1KDM4EACHENPSR1POLB | |
| SCHEMBL22002786 | 0.82 | ATM (0.41) | ALDH1A1KDM4ECYP11B1CYP11B2ATM | |
| SCHEMBL10033113 | 0.81 | L3MBTL1 (0.42) | ALDH1A1CYP11B1CYP11B2KDM1A | |
| SCHEMBL10033106 | 0.81 | HTR2A (0.38) | ALDH1A1KDM4ECYP11B1CYP11B2KDM1A | |
| SCHEMBL1709396 | 0.79 | ALDH1A1 (0.38) | TACR1ALDH1A1KDM4ECYP11B1CYP11B2 | |
| SCHEMBL10033095 | 0.79 | L3MBTL1 (0.41) | ALDH1A1ATMNPSR1 | |
| SCHEMBL10033131 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EATMNPSR1POLB | |
| SCHEMBL1709428 | 0.77 | CYP11B1 (0.43) | ALDH1A1KDM4ECYP11B1CYP11B2ATM | |
| SCHEMBL10033189 | 0.77 | TACR1 (0.39) | TACR1ALDH1A1KDM4E | |
| SCHEMBL10033101 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EKDM1ARCOR1 |
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-2012046771-A1 | CYCLOALKANE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |