Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 8/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8654933 | 0.90 | WNT3A (0.40) | QDPRHTR2CWNT3ARARARARB | |
| SCHEMBL9612545 | 0.81 | TGFBR1 (0.43) | QDPRHTR2CSIGMAR1WNT3AALK | |
| SCHEMBL18961191 | 0.80 | RARA (0.47) | RARARARB | |
| SCHEMBL9612753 | 0.80 | RARA (0.53) | QDPRHTR2CSIGMAR1RARARARB | |
| SCHEMBL8514545 | 0.76 | HTR2C (0.38) | QDPRHTR2CSIGMAR1ALKRARA | |
| SCHEMBL8515364 | 0.75 | QDPR (0.39) | QDPRHTR2CSIGMAR1ALKRARA | |
| Hydrochloric Acid SCHEMBL8534872 | 0.75 | HTR2C (0.39) | QDPRHTR2CSIGMAR1ALKRARA | |
| SCHEMBL16998862 | 0.74 | RARB (0.55) | RARARARB | |
| SCHEMBL8512658 | 0.74 | RARA (0.44) | RARARARB | |
| SCHEMBL8515212 | 0.73 | ALDH1A1 (0.42) | QDPRRARARARB |
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 2 patents. 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 |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |