Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | SDHB | P21912 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | STAT3 | P40763 | 3/20 | 0.50 |
| ▸ | STAT1 | P42224 | 2/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18963 | 0.82 | NPSR1 (0.49) | NPSR1SMN1; SMN2SDHBLMNARAB9A | |
| SCHEMBL28864065 | 0.79 | KDM4E (0.46) | KCNH2LMNAKDM4EALDH1A1PIK3CA | |
| SCHEMBL1183883 | 0.78 | SDHB (0.50) | NPSR1SMN1; SMN2SDHBLMNARAB9A | |
| SCHEMBL2410945 | 0.77 | RAB9A (0.56) | NPSR1SMN1; SMN2SDHBLMNARAB9A | |
| SCHEMBL28175534 | 0.77 | PIK3CA (0.44) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL2415488 | 0.76 | KDM4E (0.49) | NPSR1SMN1; SMN2SDHBLMNARAB9A | |
| Pyrimidine SCHEMBL5649751 | 0.76 | NPSR1 (0.44) | NPSR1SMN1; SMN2SDHBLMNARAB9A | |
| SCHEMBL990141 | 0.75 | TRPV3 (0.46) | KCNH2PIK3CAHSD17B10TRPV3 | |
| SCHEMBL28178962 | 0.75 | KCNH2 (0.68) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL16538500 | 0.75 | KCNH2 (0.42) | KCNH2LMNAPIK3CAPOLBTRPV3 |
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-2015028989-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-03-05 | — | — | WO | disclosed |