Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 13/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3856745 | 0.86 | PTGER1 (0.49) | PTGER1TP53P2RY14SMN1; SMN2NPSR1 | |
| SCHEMBL3854464 | 0.84 | PTGER1 (0.42) | PTGER1TP53LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL3847522 | 0.83 | PTGER1 (0.45) | PTGER1LMNAKMT2ASMN1; SMN2TSHR | |
| SCHEMBL4795243 | 0.83 | PTGER1 (0.70) | PTGER1 | |
| SCHEMBL3186899 | 0.78 | PTGER1 (0.52) | PTGER1TP53P2RY14LMNAKMT2A | |
| SCHEMBL3177484 | 0.76 | PTGER1 (0.66) | PTGER1TP53P2RY14LMNAKMT2A | |
| SCHEMBL4022471 | 0.76 | PTGDR2 (0.39) | TP53LMNAKMT2ASMN1; SMN2TSHR | |
| SCHEMBL3844835 | 0.75 | PTGER1 (0.61) | PTGER1 | |
| SCHEMBL4433371 | 0.73 | PPARA (0.37) | LMNASMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL4422304 | 0.72 | GAA (0.54) | TP53LMNAKMT2ASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2106398-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) | SmithKline Beecham Corporation (US) | 2009-10-07 | — | — | EP | disclosed |
| WO-2008074832-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | WO | disclosed |