Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.54 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29241233 | 0.94 | NPSR1 (0.60) | NPSR1APEX1LGALS8TOP2AALDH1A1 | |
| SCHEMBL25434643 | 0.94 | NPSR1 (0.60) | NPSR1APEX1LGALS8TOP2AALDH1A1 | |
| SCHEMBL29491599 | 0.84 | NPSR1 (0.47) | NPSR1APEX1LGALS8TOP2AALDH1A1 | |
| SCHEMBL25435624 | 0.81 | ALDH1A1 (0.51) | NPSR1APEX1LGALS8ALDH1A1MAPK1 | |
| SCHEMBL13544348 | 0.74 | NPSR1 (0.97) | NPSR1APEX1LGALS8TOP2AALDH1A1 | |
| SCHEMBL8024954 | 0.73 | KMT2A (0.48) | ALDH1A1HCAR3 | |
| SCHEMBL5396738 | 0.73 | NPSR1 (0.73) | NPSR1APEX1LGALS8TOP2AALDH1A1 | |
| SCHEMBL18229576 | 0.71 | HDAC6 (0.59) | NPSR1AAK1CHEK2 | |
| SCHEMBL29262338 | 0.71 | MAPT (0.47) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29924789 | 0.71 | HTT (0.36) | NPSR1LGALS8ALDH1A1TDP1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103221043-B | ERK inhibitors for the treatment of neuronal connectivity developmental disorders | CASE WESTERN RESERVE UNIVERSITY (US) | 2016-04-06 | — | — | CN | disclosed |