Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 2/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939687 | 0.80 | S100A4 (0.42) | S100A4GAAMEN1NPC1KMT2A | |
| SCHEMBL14940053 | 0.79 | S100A4 (0.43) | S100A4GAAKMT2ACA1CA2 | |
| SCHEMBL14939461 | 0.78 | CA1 (0.46) | S100A4GAAMEN1NPC1KMT2A | |
| SCHEMBL11593604 | 0.73 | S100A4 (0.70) | S100A4GAAMEN1NPC1KMT2A | |
| SCHEMBL14938923 | 0.69 | MAPT (0.43) | S100A4GAACA1CA2CA7 | |
| SCHEMBL14939759 | 0.68 | NPSR1 (0.51) | S100A4GAAMEN1KMT2ACA1 | |
| SCHEMBL14939408 | 0.66 | CA1 (0.53) | S100A4GAANPC1KMT2ACA1 | |
| SCHEMBL556387 | 0.66 | MAPT (0.36) | S100A4GAAMEN1NPC1KMT2A | |
| SCHEMBL11451592 | 0.65 | TDP1 (0.42) | S100A4GAAMEN1NPC1KMT2A | |
| SCHEMBL11352880 | 0.64 | CA1 (0.61) | GAAMEN1KMT2ACA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |