Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9878755 | 0.85 | SLC2A1 (0.46) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL9878910 | 0.85 | NPC1 (0.44) | NPC1RAB9AKMT2ASMN1; SMN2LRRK2 | |
| Hydrochloric Acid SCHEMBL9878693 | 0.84 | SLC2A1 (0.45) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL9879455 | 0.82 | KMT2A (0.50) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL9879474 | 0.82 | NPC1 (0.49) | NPC1RAB9AKMT2ASMN1; SMN2LRRK2 | |
| SCHEMBL9878202 | 0.78 | ALDH1A1 (0.54) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL9878760 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9878699 | 0.77 | — | — | |
| SCHEMBL9878662 | 0.76 | NPC1 (0.45) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL9878907 | 0.76 | NPC1 (0.57) | NPC1RAB9AKMT2ASMN1; SMN2LRRK2 |
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-1991018887-A1 | DIAMINOPYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1991-12-12 | — | — | WO | disclosed |