Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL1709473 | 0.86 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3PTGDR2EPHX2 | |
| SCHEMBL1709407 | 0.84 | TP53 (0.39) | EPHX2KMT2AL3MBTL1NPC1RAB9A | |
| SCHEMBL1709406 | 0.78 | EPHX2 (0.32) | SLC6A2SLC6A4PTGDR2EPHX2ALDH1A1 | |
| SCHEMBL10033119 | 0.78 | PTGDR2 (0.37) | PTGDR2NPC1RAB9A | |
| SCHEMBL1709408 | 0.77 | DGAT1 (0.38) | CYP2D6 | |
| SCHEMBL1709480 | 0.76 | NPC1 (0.38) | NPC1RAB9AALDH1A1 | |
| SCHEMBL1709409 | 0.76 | POLB (0.38) | SLC6A2SLC6A4KMT2ARAB9A | |
| SCHEMBL1709497 | 0.76 | EPHX2 (0.43) | PTGDR2EPHX2KMT2AALDH1A1 | |
| SCHEMBL10033118 | 0.76 | OPRL1 (0.38) | PTGDR2EPHX2L3MBTL1ALDH1A1 | |
| SCHEMBL1709481 | 0.75 | MDM2 (0.43) | SLC6A2SLC6A4SLC6A3EPHX2 |
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 |