Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL18948624 | 0.86 | S1PR1 (0.48) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL91724 | 0.82 | AR (0.37) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL5949403 | 0.82 | NOTUM (0.53) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL30742956 | 0.82 | NOTUM (0.53) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL30742957 | 0.82 | NOTUM (0.53) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL18947651 | 0.81 | S1PR1 (0.44) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL91721 | 0.81 | S1PR1 (0.38) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL5949422 | 0.80 | AR (0.52) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL17297890 | 0.78 | AR (0.61) | S1PR1NOTUMARCTSSCTSK | |
| SCHEMBL91720 | 0.78 | KMT2A (0.39) | NOTUMAR |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |