Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8079441 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2TYRALDH1A1LMNATSHR | |
| SCHEMBL18190838 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2TYRALDH1A1LMNATSHR | |
| SCHEMBL8079436 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2TYRALDH1A1LMNATSHR | |
| SCHEMBL12514588 | 0.78 | PLG (0.48) | SMN1; SMN2PLGPLAUCAPN1MME | |
| SCHEMBL27904272 | 0.77 | HTT (0.44) | SMN1; SMN2TYRCAPN1ALDH1A1LMNA | |
| SCHEMBL12513815 | 0.76 | CTSK (0.43) | SMN1; SMN2PLGPLAUCAPN1MME | |
| Trifluoroacetic Acid SCHEMBL2367570 | 0.76 | CAPN1 (0.58) | ITGB3ITGA2BCAPN1ALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL28068720 | 0.74 | TSHR (0.41) | SMN1; SMN2PLGPLAUALDH1A1LMNA | |
| SCHEMBL2234718 | 0.74 | MME (0.53) | SMN1; SMN2PLGPLAUTYRITGB3 | |
| SCHEMBL18190834 | 0.74 | ALDH1A1 (0.58) | SMN1; SMN2TYRALDH1A1LMNAMME |
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-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |