Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 16/20 | 0.41 |
| ▸ | TP53 | P04637 | 11/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10033115 | 0.82 | MDM2 (0.43) | MDM2TP53EPHX2 | |
| SCHEMBL1709502 | 0.81 | ESR2 (0.35) | — | |
| SCHEMBL1709411 | 0.80 | SIGMAR1 (0.31) | — | |
| SCHEMBL10033138 | 0.80 | SIGMAR1 (0.42) | HTR2AHTR2CHTR2B | |
| SCHEMBL10033140 | 0.79 | OPRM1 (0.32) | HTR2CHTR2B | |
| SCHEMBL1709403 | 0.77 | HTR2C (0.34) | TP53HTR2AHTR2C | |
| SCHEMBL1709404 | 0.77 | HTR2C (0.34) | TP53HTR2AHTR2C | |
| SCHEMBL1709443 | 0.77 | HTR2C (0.34) | TP53HTR2AHTR2C | |
| SCHEMBL10032995 | 0.77 | HTR2A (0.34) | HTR2AHTR2CHTR2B | |
| SCHEMBL1709491 | 0.77 | KDM1A (0.42) | — |
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 |