Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8478346 | 0.91 | KDM1A (0.41) | ABCB1L3MBTL1EGFRMAPTCYP2D6 | |
| SCHEMBL8482595 | 0.90 | S1PR1 (0.37) | ITGB3ITGA2BABCB1EGFRMEN1 | |
| SCHEMBL8477764 | 0.89 | MAPT (0.41) | ABCB1EGFRMAPTCYP2D6ALDH1A1 | |
| SCHEMBL8478646 | 0.89 | MAPT (0.39) | ABCB1L3MBTL1EGFRMAPTCYP2D6 | |
| SCHEMBL8482399 | 0.88 | KDM4E (0.41) | L3MBTL1MEN1KMT2AMAPTCYP2D6 | |
| SCHEMBL8479012 | 0.79 | ESRRG (0.39) | ITGB3ITGA2BEGFRMEN1KMT2A | |
| SCHEMBL8478663 | 0.78 | EGFR (0.49) | ITGB3ITGA2BLMNAL3MBTL1EGFR | |
| SCHEMBL8541454 | 0.77 | ABCB1 (0.59) | ABCB1L3MBTL1MEN1KMT2AMAPT | |
| SCHEMBL8505444 | 0.77 | CHRM5 (0.30) | — | |
| SCHEMBL8478303 | 0.76 | ITGB3 (0.39) | ITGB3ITGA2BABCB1LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5876698-A | Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-03-02 | — | — | US | disclosed |
| US-5871709-A | TETRAAZACYCLODODECANE COMPOUNDS SUBSTITUTED WITH ALKYL CARBOXY COMPOUNDS FOR CARDIOVASCULAR DISORDERS AND BRAIN TUMORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-02-16 | — | — | US | disclosed |