Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939583 | 0.91 | NPSR1 (0.39) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14939772 | 0.89 | NPSR1 (0.42) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14939741 | 0.88 | NPSR1 (0.44) | NPSR1ALDH1A1GAAACHEKDM4E | |
| SCHEMBL14938860 | 0.88 | NPSR1 (0.40) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14939225 | 0.85 | NPSR1 (0.40) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14939290 | 0.84 | KDM4E (0.42) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14938856 | 0.82 | NPSR1 (0.42) | NPSR1ALDH1A1GAAKDM4ETDP1 | |
| SCHEMBL14938918 | 0.82 | NPSR1 (0.48) | NPSR1ALDH1A1GAABCHEACHE | |
| SCHEMBL14939262 | 0.81 | NPSR1 (0.53) | NPSR1ALDH1A1GAAKDM4ETDP1 | |
| SCHEMBL14939605 | 0.81 | NPSR1 (0.46) | NPSR1ALDH1A1GAABCHEACHE |
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 |