Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7948148 | 1.00 | NT5E (0.53) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL7957751 | 0.94 | SLC6A2 (0.53) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL7957749 | 0.94 | SLC6A2 (0.53) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL7962174 | 0.94 | NT5E (0.51) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL7962175 | 0.94 | NT5E (0.51) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL8313922 | 0.90 | NT5E (0.46) | NT5ESLC6A2CYP1A2NFKB1THPO | |
| SCHEMBL8317281 | 0.88 | NT5E (0.54) | NT5ESLC6A2LGALS8 | |
| SCHEMBL7948095 | 0.88 | NT5E (0.54) | NT5ESLC6A2LGALS8 | |
| SCHEMBL7957678 | 0.86 | NT5E (0.52) | NT5ESLC6A2 | |
| SCHEMBL8317663 | 0.86 | NT5E (0.52) | NT5ESLC6A2 |
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 |