Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | QDPR | P09417 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 3/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | RARG | P13631 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8534872 | 0.99 | HTR2C (0.39) | HTR2CQDPRSIGMAR1RARARARB | |
| SCHEMBL8515362 | 0.78 | QDPR (0.40) | HTR2CQDPRSIGMAR1RARARARB | |
| SCHEMBL8511475 | 0.76 | QDPR (0.43) | HTR2CQDPRSIGMAR1RARARARB | |
| SCHEMBL9612545 | 0.76 | TGFBR1 (0.43) | HTR2CQDPRSIGMAR1RARARARB | |
| SCHEMBL8515364 | 0.75 | QDPR (0.39) | HTR2CQDPRSIGMAR1RARARARB | |
| SCHEMBL9612753 | 0.75 | RARA (0.53) | HTR2CQDPRSIGMAR1RARARARB | |
| Trifluoroacetic Acid SCHEMBL8654933 | 0.69 | WNT3A (0.40) | HTR2CQDPRRARARARBRARG | |
| SCHEMBL8514544 | 0.68 | RARB (0.34) | RARARARBRARG | |
| SCHEMBL8513668 | 0.68 | HTR6 (0.31) | HTR2CSIGMAR1RARARARBRARG | |
| Trifluoroacetic Acid SCHEMBL8646881 | 0.68 | RARA (0.38) | HTR2CQDPRRARARARBRARG |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | claimed |