Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | BCL9 | O00512 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6817377 | 0.85 | CA12 (0.37) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL7957336 | 0.84 | PTGS2 (0.46) | ALDH1A1KDM4EBCL9CTNNB1MAPT | |
| SCHEMBL7656587 | 0.84 | PTGS2 (0.46) | ALDH1A1KDM4EBCL9CTNNB1MAPT | |
| SCHEMBL9053183 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL4609138 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL2943984 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL15782553 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL7596584 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL2296345 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 | |
| SCHEMBL2543592 | 0.82 | CA12 (0.48) | ALDH1A1KDM4EBCL9CTNNB1CA12 |
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-6271342-B1 | SERUM STABILITY; FOR TUMOR THERAPY | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| EP-0819135-B1 | SUGAR-MODIFIED CYTOSTATICS | BAYER AG (DE) | 1999-11-17 | — | — | EP | disclosed |