Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8313564 | 1.00 | CYP1A2 (0.43) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7959236 | 0.90 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7959233 | 0.90 | CYP1A2 (0.49) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7948106 | 0.89 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7948101 | 0.89 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7962256 | 0.88 | MAPT (0.40) | ALDH1A1BCL9CTNNB1MAOB | |
| SCHEMBL7962254 | 0.88 | MAPT (0.40) | ALDH1A1BCL9CTNNB1MAOB | |
| SCHEMBL7948095 | 0.87 | NT5E (0.54) | — | |
| SCHEMBL8317281 | 0.87 | NT5E (0.54) | — | |
| SCHEMBL7962086 | 0.86 | MAPT (0.44) | ALDH1A1MAOB |
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 |