Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL1709467 | 0.86 | TACR1 (0.41) | SLC6A2SLC6A4TACR1KCNH2 | |
| SCHEMBL10032999 | 0.85 | SCN9A (0.43) | TDP1 | |
| SCHEMBL1709392 | 0.75 | MAOA (0.44) | TACR1KCNH2KDM4EALDH1A1POLB | |
| SCHEMBL1709391 | 0.72 | SSTR3 (0.46) | TACR1POLB | |
| SCHEMBL1709505 | 0.72 | HDAC4 (0.40) | SLC6A2SLC6A4TACR1KCNH2ALDH1A1 | |
| SCHEMBL1709386 | 0.71 | MAOA (0.48) | TACR1 | |
| SCHEMBL10033123 | 0.70 | PSEN1 (0.41) | TACR1 | |
| SCHEMBL1709470 | 0.69 | KDM4E (0.40) | SLC6A2KDM4EALDH1A1POLBGAA | |
| SCHEMBL1709405 | 0.68 | TACR1 (0.38) | TACR1 | |
| SCHEMBL1709471 | 0.68 | KDM4E (0.40) | KDM4EALDH1A1POLBGAAMAPK1 |
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 |