Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | PPOX | P50336 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032828 | 0.94 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1HDAC3HDAC1HDAC2 | |
| SCHEMBL10033119 | 0.88 | PTGDR2 (0.37) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL1709374 | 0.82 | KMT2A (0.39) | ALDH1A1L3MBTL1RAB9ATDP1MEN1 | |
| SCHEMBL10033120 | 0.82 | NPC1 (0.35) | L3MBTL1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1709395 | 0.81 | L3MBTL1 (0.39) | ALDH1A1L3MBTL1HDAC3HDAC1HDAC2 | |
| SCHEMBL1709399 | 0.81 | PTGDR (0.41) | ALDH1A1L3MBTL1HDAC3HDAC1HDAC2 | |
| SCHEMBL10033128 | 0.80 | ALOX5AP (0.36) | ALDH1A1L3MBTL1CYP11B1CYP11B2KMT2A | |
| SCHEMBL10032977 | 0.77 | MEN1 (0.38) | ALDH1A1RAB9ATDP1LMNAMEN1 | |
| SCHEMBL10033118 | 0.77 | OPRL1 (0.38) | ALDH1A1L3MBTL1PTGDR2 | |
| SCHEMBL10033183 | 0.76 | — | — |
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 |