Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP4 | P49662 | 1/20 | 0.45 |
| ▸ | CASP5 | P51878 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940447 | 0.89 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14940056 | 0.88 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14939846 | 0.87 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14939341 | 0.86 | NPSR1 (0.65) | SIGMAR1ALDH1A1NPSR1LMNAMEN1 | |
| SCHEMBL14939086 | 0.86 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14939713 | 0.83 | NPSR1 (0.65) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14940106 | 0.83 | NPSR1 (0.72) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14939475 | 0.83 | NPSR1 (0.58) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14940134 | 0.83 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA | |
| SCHEMBL14939162 | 0.83 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1ALDH3A1NPSR1LMNA |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |