Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1709406 | 0.86 | EPHX2 (0.32) | ALDH1A1PTGDR2EPHX2LPAR1LPAR5 | |
| SCHEMBL1709478 | 0.86 | SLC6A2 (0.37) | ALDH1A1PTGDR2EPHX2NPC1RAB9A | |
| SCHEMBL10033118 | 0.85 | OPRL1 (0.38) | ALDH1A1PTGDR2EPHX2 | |
| SCHEMBL10033119 | 0.85 | PTGDR2 (0.37) | PKMPTGDR2LPAR1LPAR5GAA | |
| SCHEMBL1709407 | 0.85 | TP53 (0.39) | ALDH1A1SMN1; SMN2EPHX2KDM4ENPC1 | |
| SCHEMBL1709409 | 0.82 | POLB (0.38) | PKMSMN1; SMN2RAB9ASLC6A2SLC6A4 | |
| SCHEMBL1709359 | 0.81 | USP30 (0.38) | ALDH1A1PKMPTGDR2SMN1; SMN2NPC1 | |
| SCHEMBL1709489 | 0.81 | OPRM1 (0.37) | PKMPTGDR2SLC6A2SLC6A4 | |
| SCHEMBL10033120 | 0.79 | NPC1 (0.35) | PKMPTGDR2SMN1; SMN2LPAR1LPAR5 | |
| SCHEMBL1709358 | 0.79 | DPEP1 (0.36) | ALDH1A1PKMSMN1; SMN2EPHX2NPC1 |
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 |