Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 5/20 | 0.52 |
| ▸ | HRH1 | P35367 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3784011 | 1.00 | HRH2 (0.52) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL2799374 | 1.00 | HRH2 (0.52) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL4976989 | 0.89 | HRH2 (0.49) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL22338678 | 0.89 | CTSK (0.48) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL23845159 | 0.88 | HRH2 (0.48) | HRH2HRH1TSHRKMT2AITGB3 | |
| SCHEMBL9718051 | 0.88 | HRH2 (0.48) | HRH2HRH1TSHRKMT2AITGB3 | |
| SCHEMBL5141590 | 0.88 | TSHR (0.46) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL5142485 | 0.88 | CALCRL (0.46) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL14850693 | 0.86 | TSHR (0.41) | HRH2HRH1MAPK1TSHRKMT2A | |
| SCHEMBL29999205 | 0.86 | TSHR (0.46) | HRH2HRH1MAPK1TSHRKMT2A |
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-2010091104-A1 | GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | EXELIXIS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010091164-A1 | INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE | EXELIXIS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |