Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29790204 | 0.83 | FYN (0.38) | SMN1; SMN2NPC1RAB9APTGS2ALDH1A1 | |
| SCHEMBL7078258 | 0.81 | DHODH (0.54) | ALDH1A1KDM4EHPGDPOLBMAPT | |
| SCHEMBL1340970 | 0.80 | MEN1 (0.49) | SMN1; SMN2NPC1RAB9APTGS2ALDH1A1 | |
| SCHEMBL15546178 | 0.78 | KDM4E (0.51) | SMN1; SMN2PTGS2ALDH1A1KDM4EHPGD | |
| SCHEMBL3316024 | 0.77 | KMT2A (0.50) | SMN1; SMN2PTGS2ALDH1A1KDM4EHPGD | |
| SCHEMBL14398910 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL15276735 | 0.77 | MEN1 (0.50) | SMN1; SMN2ALDH1A1KDM4EHPGDPOLB | |
| SCHEMBL1340677 | 0.77 | PTGS1 (0.53) | PTGS2ALDH1A1KDM4EHPGDCA1 | |
| SCHEMBL15775800 | 0.77 | ACMSD (0.46) | RAB9AKDM4EPOLBRXFP1MAPT | |
| SCHEMBL982263 | 0.76 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9APTGS2ALDH1A1 |
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-2003051368-A1 | N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-26 | — | — | WO | disclosed |