Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20064509 | 0.89 | NPC1 (0.50) | NPC1MEN1RAB9AKMT2AKDM4E | |
| SCHEMBL21222659 | 0.85 | KDM4E (0.47) | NPC1MEN1KMT2APTGESKDM4E | |
| SCHEMBL21222661 | 0.85 | KDM4E (0.47) | NPC1MEN1KMT2APTGESKDM4E | |
| SCHEMBL21222134 | 0.83 | PTGES (0.46) | NPC1RAB9APTGESKDM4EALDH1A1 | |
| SCHEMBL21222136 | 0.83 | PTGES (0.46) | NPC1RAB9APTGESKDM4EALDH1A1 | |
| SCHEMBL20064596 | 0.82 | MEN1 (0.35) | NPC1MEN1RAB9AKMT2APTGES | |
| SCHEMBL21222471 | 0.81 | PTGES (0.47) | RAB9APTGESALDH1A1HPGDSPOLB | |
| SCHEMBL20064617 | 0.81 | PTGES (0.47) | RAB9APTGESALDH1A1HPGDSPOLB | |
| SCHEMBL20064607 | 0.79 | MEN1 (0.40) | NPC1MEN1RAB9AKMT2APTGES | |
| SCHEMBL20065593 | 0.75 | POLB (0.45) | NPC1MEN1KMT2APTGESKDM4E |
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 |