Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8900149 | 0.86 | AKT1 (0.34) | — | |
| SCHEMBL8899837 | 0.84 | ESR2 (0.47) | ESR1MAOAUGT1A1MAOBESR2 | |
| SCHEMBL9755793 | 0.76 | NQO1 (0.32) | — | |
| SCHEMBL9283043 | 0.66 | ESR2 (0.46) | ESR1MAOAUGT1A1MAOBESR2 | |
| SCHEMBL26059677 | 0.61 | ESR2 (0.44) | ESR1MAOAUGT1A1MAOBESR2 | |
| SCHEMBL9755794 | 0.60 | NQO1 (0.42) | — | |
| SCHEMBL8902037 | 0.60 | AKT1 (0.44) | MAOA | |
| SCHEMBL9755756 | 0.60 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL2492424 | 0.57 | ESR2 (0.52) | ESR1MAOAUGT1A1MAOBESR2 | |
| SCHEMBL8900948 | 0.57 | AKT1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | claimed |
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | claimed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | claimed |
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | disclosed |
| EP-0659190-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC (CA) | 1995-06-28 | — | — | EP | disclosed |
| WO-1994011382-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1994-05-26 | — | — | WO | disclosed |