Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20065559 | 0.89 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2APPARA | |
| SCHEMBL20064607 | 0.83 | MEN1 (0.40) | NPC1RAB9AMEN1KMT2APPARA | |
| SCHEMBL21221984 | 0.83 | HPGDS (0.43) | NPC1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL20065593 | 0.83 | POLB (0.45) | NPC1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL21222191 | 0.83 | POLB (0.45) | NPC1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL21228054 | 0.83 | HPGDS (0.43) | NPC1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL21221985 | 0.83 | HPGDS (0.43) | NPC1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL20064596 | 0.82 | MEN1 (0.35) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL20064724 | 0.81 | HPGDS (0.44) | ALDH1A1POLBSMN1; SMN2HPGDS | |
| SCHEMBL21222050 | 0.81 | HPGDS (0.44) | ALDH1A1POLBSMN1; SMN2HPGDS |
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 |