Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19650394 | 0.89 | ALDH1A1 (0.44) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL21697571 | 0.87 | ALDH1A1 (0.46) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL19143851 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL22297645 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL7168136 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL7168135 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL20006789 | 0.76 | ALDH1A1 (0.48) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL19710611 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL13176595 | 0.73 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL8259800 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3099692-B1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER (US) | 2019-03-13 | — | — | EP | disclosed |