Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709395 | 0.78 | L3MBTL1 (0.39) | TDP1L3MBTL1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL1709384 | 0.77 | SIGMAR1 (0.40) | TDP1L3MBTL1KDM1AALDH1A1HDAC6 | |
| SCHEMBL1709389 | 0.76 | KMT2A (0.37) | TDP1L3MBTL1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL1709396 | 0.75 | ALDH1A1 (0.38) | TDP1ALDH1A1HDAC6 | |
| SCHEMBL1709393 | 0.70 | KDM4E (0.38) | TDP1ALDH1A1HDAC6 | |
| SCHEMBL10033107 | 0.69 | KDM1A (0.45) | TDP1KDM1A | |
| SCHEMBL10033182 | 0.67 | BRD4 (0.38) | TDP1L3MBTL1CYP1A2ALDH1A1 | |
| Toluene SCHEMBL28232236 | 0.66 | TDP1 (0.56) | TDP1L3MBTL1P2RX7ALDH1A1 | |
| SCHEMBL10033177 | 0.66 | GRIA4 (0.38) | KDM1AHDAC6 | |
| SCHEMBL10033112 | 0.64 | BRD4 (0.42) | CYP1A2KDM1AALDH1A1 |
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 |