Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21221961 | 0.84 | NPC1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL21221958 | 0.84 | NPC1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL20064291 | 0.83 | LMNA (0.43) | SMN1; SMN2MAPK1MAPTMEN1KMT2A | |
| SCHEMBL20064222 | 0.82 | LMNA (0.45) | SMN1; SMN2MAPK1MAPTMEN1KMT2A | |
| SCHEMBL20064552 | 0.82 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL21222268 | 0.82 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL21222566 | 0.75 | NPC1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL20064647 | 0.75 | NPC1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL20064662 | 0.73 | RECQL (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL21222280 | 0.73 | RECQL (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |