Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPEP1 | P16444 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PTGIR | P43119 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1709459 | 0.92 | CXCR3 (0.34) | PTGIRNPC1RAB9APKMSLC6A2 | |
| SCHEMBL1709359 | 0.91 | USP30 (0.38) | DGAT1SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL1709480 | 0.87 | NPC1 (0.38) | DGAT1SMN1; SMN2ALDH1A1MDM2TP53 | |
| SCHEMBL1709454 | 0.86 | SLC6A2 (0.40) | PKMTAS1R3TAS1R1TAS1R2SLC6A2 | |
| SCHEMBL1709481 | 0.85 | MDM2 (0.43) | MDM2TP53SLC6A2SLC6A4EPHX2 | |
| SCHEMBL1709409 | 0.85 | POLB (0.38) | DPEP1DGAT1SMN1; SMN2RAB9APKM | |
| SCHEMBL1709408 | 0.84 | DGAT1 (0.38) | DGAT1 | |
| SCHEMBL10033118 | 0.84 | OPRL1 (0.38) | ALDH1A1MDM2TP53EPHX2 | |
| SCHEMBL1709489 | 0.83 | OPRM1 (0.37) | DGAT1PKMSLC6A2SLC6A4 | |
| SCHEMBL1709513 | 0.82 | SLC6A2 (0.34) | DPEP1DGAT1SMN1; SMN2ALDH1A1MDM2 |
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 |