Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 SCHEMBL9233799 | 0.89 | HDAC4 (0.38) | HDAC4SMN1; SMN2ATRHSD11B1HTR2B | |
| Trifluoroacetic Acid SCHEMBL8866836 | 0.87 | F11 (0.40) | LMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL8867403 | 0.87 | MAPT (0.43) | ITGB3ITGA2BMAPTHDAC4SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL8866066 | 0.80 | GCGR (0.40) | ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL8866276 | 0.78 | HPGDS (0.43) | ITGB3ITGA2BMAPTHDAC4SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL9233271 | 0.76 | HDAC4 (0.36) | HDAC4SMN1; SMN2ATRHSD11B1HTR2B | |
| Trifluoroacetic Acid SCHEMBL8866136 | 0.75 | ITGB3 (0.49) | ITGB3ITGA2BMAPTSMN1; SMN2GAA | |
| Trifluoroacetic Acid SCHEMBL8867217 | 0.74 | SUV39H2 (0.43) | ITGB3ITGA2BMAPTHDAC4SMN1; SMN2 | |
| SCHEMBL8866031 | 0.73 | HRH3 (0.42) | ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL8866967 | 0.73 | ITGB3 (0.51) | ITGB3ITGA2BMAPTSMN1; SMN2GAA |
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 |