Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902939 | 0.96 | NQO1 (0.37) | NQO1HPGDALDH1A1IDO1MEN1 | |
| SCHEMBL8903683 | 0.96 | NQO1 (0.37) | NQO1HPGDALDH1A1IDO1MEN1 | |
| SCHEMBL8901727 | 0.87 | KDM4E (0.34) | HPGDALDH1A1KMT2AMAPTSLC6A3 | |
| SCHEMBL8901552 | 0.82 | NQO1 (0.38) | NQO1HPGDALDH1A1MEN1KMT2A | |
| SCHEMBL8901762 | 0.82 | NQO1 (0.38) | NQO1HPGDALDH1A1MEN1KMT2A | |
| SCHEMBL8903145 | 0.81 | NQO1 (0.38) | NQO1HPGDALDH1A1IDO1MEN1 | |
| SCHEMBL8901769 | 0.78 | NQO1 (0.41) | NQO1IDO1PGAM1TCF4CTNNB1 | |
| SCHEMBL9755770 | 0.78 | NQO1 (0.37) | NQO1IDO1PGAM1TCF4CTNNB1 | |
| SCHEMBL8903531 | 0.77 | NR1D1 (0.33) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL8901643 | 0.75 | NQO1 (0.33) | NQO1 |
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 |