Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL10033124 | 0.77 | HSD11B1 (0.39) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL10033186 | 0.77 | TEAD1 (0.39) | GAATACR1 | |
| SCHEMBL10033130 | 0.71 | TACR1 (0.41) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL3499166 | 0.68 | MAPK1 (0.42) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL3497969 | 0.68 | MAPK1 (0.42) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL3499933 | 0.68 | MAPK1 (0.42) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL8159451 | 0.68 | MAPK1 (0.42) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL1625320 | 0.66 | CNR1 (0.47) | CFTRCES2CES1 | |
| SCHEMBL8279023 | 0.65 | TDP1 (0.47) | MAPK1KDM4EALDH1A1POLBGAA | |
| SCHEMBL27702381 | 0.65 | CES2 (0.52) | POLBGAATDP1CES2CES1 |
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 |