Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23123437 | 0.90 | SMN1; SMN2 (0.45) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL9980956 | 0.86 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL9981197 | 0.80 | F11 (0.43) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL29745103 | 0.80 | TSHR (0.49) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL23124272 | 0.80 | TSHR (0.49) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL23122597 | 0.78 | NPC1 (0.39) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL14889097 | 0.78 | KDM4E (0.35) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL14889099 | 0.77 | SMN1; SMN2 (0.35) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL1701488 | 0.77 | PIN1 (0.38) | KDM4EALDH1A1SMN1; SMN2TP53NPC1 | |
| SCHEMBL23123150 | 0.76 | CHRM1 (0.46) | KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2013-05-01 | — | — | EP | disclosed |