Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27665388 | 0.87 | KDM4E (0.36) | PTGS2KDM4ETSHR | |
| SCHEMBL28761438 | 0.87 | SLC7A5 (0.39) | SLC7A5PTGS2AKR1C3AKR1C2KDM4E | |
| SCHEMBL27644071 | 0.86 | TSHR (0.40) | SLC7A5PTGS2AKR1C3AKR1C2KDM4E | |
| SCHEMBL27665797 | 0.85 | PTGS1 (0.43) | SLC7A5PTGS2KDM4EPTGS1SLC1A3 | |
| SCHEMBL4984608 | 0.84 | PTGS2 (0.39) | PTGS2AKR1C3AKR1C2KDM4ENPC1 | |
| SCHEMBL27665757 | 0.84 | AKR1C3 (0.45) | SLC7A5PTGS2AKR1C3AKR1C2KDM4E | |
| SCHEMBL27665424 | 0.83 | PTGS2 (0.48) | SLC7A5PTGS2AKR1C3AKR1C2SLC1A3 | |
| SCHEMBL27644278 | 0.82 | SLC1A3 (0.39) | SLC7A5PTGS2AKR1C3AKR1C2KDM4E | |
| SCHEMBL27644343 | 0.82 | AKR1C3 (0.45) | SLC7A5PTGS2AKR1C3AKR1C2KDM4E | |
| SCHEMBL27644290 | 0.81 | GRIK1 (0.41) | SLC7A5SLC1A3SLC1A2SLC1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1886363-A | Amino acids with affinity for the alpha2delta-protein | WARNER LAMBERT CO (US) | 2006-12-27 | — | — | CN | claimed |
| CN-1886363-A | Amino acids with affinity for the alpha2delta-protein | WARNER LAMBERT CO (US) | 2006-12-27 | — | — | CN | disclosed |