Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18334327 | 0.79 | KMT2A (0.37) | KMT2AALOX15EGLN1SLC22A6SMN1; SMN2 | |
| SCHEMBL18334328 | 0.79 | KMT2A (0.37) | KMT2AALOX15EGLN1SLC22A6SMN1; SMN2 | |
| SCHEMBL8057740 | 0.78 | GABRP (0.45) | ALDH1A1KMT2ALMNAHSD17B10ALOX15 | |
| SCHEMBL4544363 | 0.78 | — | — | |
| SCHEMBL21847998 | 0.78 | SLC22A6 (0.39) | LMNAALOX15SLC22A6SMN1; SMN2TSHR | |
| SCHEMBL28865980 | 0.76 | SLC22A6 (0.38) | LMNASLC22A6SMN1; SMN2TSHRTDP1 | |
| SCHEMBL13584131 | 0.76 | — | — | |
| SCHEMBL9794612 | 0.76 | TDP1 (0.48) | ALDH1A1MEN1NPC1KMT2ALMNA | |
| SCHEMBL3311455 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MEN1NPC1KMT2ALMNA | |
| SCHEMBL1013019 | 0.76 | — | — |
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-1052231-C | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2000-05-10 | — | — | CN | disclosed |
| CN-1097421-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1995-01-18 | — | — | CN | disclosed |