Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902846 | 0.96 | AKT1 (0.33) | AKT1ADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL8902823 | 0.88 | IDO1 (0.39) | AKT1CTHADORA3ADORA2AADORA1 | |
| SCHEMBL8903882 | 0.88 | AKT1 (0.36) | AKT1CTHDNMT3BHSP90AA1PAX8 | |
| SCHEMBL8901515 | 0.86 | AKT1 (0.41) | AKT1CTHDNMT3BHSP90AA1PAX8 | |
| SCHEMBL8902595 | 0.84 | CTH (0.36) | AKT1CTHADORA3ADORA2AADORA1 | |
| SCHEMBL8903434 | 0.83 | AKT1 (0.35) | AKT1DNMT3BHSP90AA1PAX8KDM4E | |
| SCHEMBL8901803 | 0.83 | AKT1 (0.35) | AKT1DNMT3BHSP90AA1PAX8KDM4E | |
| SCHEMBL8903519 | 0.80 | NR1D1 (0.33) | CTHADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL8903221 | 0.80 | NR1D1 (0.33) | CTHADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL9755764 | 0.80 | ADORA3 (0.35) | ADORA3ADORA2AADORA1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |