Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9235973 | 0.89 | SUV39H2 (0.43) | SUV39H2CHRM4S1PR1TPSAB1HDAC4 | |
| Trifluoroacetic Acid SCHEMBL8866276 | 0.88 | HPGDS (0.43) | DHFRMAPTITGB3ITGA2BS1PR1 | |
| Trifluoroacetic Acid SCHEMBL8866457 | 0.86 | ITGB3 (0.47) | SUV39H2CHRM4DHFRMAPTITGB3 | |
| Trifluoroacetic Acid SCHEMBL8866439 | 0.83 | LOXL2 (0.48) | SUV39H2CHRM4MAPTS1PR1GAA | |
| SCHEMBL9236233 | 0.81 | MAPT (0.46) | MAPTGAASMN1; SMN2ATR | |
| Trifluoroacetic Acid SCHEMBL8866136 | 0.79 | ITGB3 (0.49) | DHFRMAPTITGB3ITGA2BGAA | |
| SCHEMBL8867330 | 0.78 | SUV39H2 (0.44) | SUV39H2CHRM4MAPTGAASMN1; SMN2 | |
| SCHEMBL8865883 | 0.78 | PRSS1 (0.53) | SUV39H2MAPTITGB3ITGA2BGAA | |
| Trifluoroacetic Acid SCHEMBL8866967 | 0.78 | ITGB3 (0.51) | DHFRMAPTITGB3ITGA2BGAA | |
| Water SCHEMBL8867564 | 0.77 | PRSS1 (0.52) | SUV39H2MAPTITGB3ITGA2BGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |