Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | NQO1 | P15559 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5123944 | 0.99 | ESR1 (0.56) | ESR1ESR2NQO1KDM4EMEN1 | |
| SCHEMBL5111890 | 0.93 | ESR1 (0.58) | ESR1ESR2NQO1KDM4EMEN1 | |
| SCHEMBL5111169 | 0.85 | TP53 (0.53) | ESR1ESR2NQO1KDM4EMEN1 | |
| SCHEMBL5116838 | 0.83 | MEN1 (0.51) | ESR1ESR2NQO1KDM4EMEN1 | |
| SCHEMBL1357283 | 0.83 | ESR1 (0.48) | ESR1ESR2NQO1KDM4EALDH1A1 | |
| SCHEMBL12137353 | 0.82 | ESR1 (0.47) | ESR1ESR2NQO1KDM4EALDH1A1 | |
| SCHEMBL1357425 | 0.80 | ESR1 (0.46) | ESR1ESR2HSD17B3 | |
| SCHEMBL5110923 | 0.79 | ESR1 (0.67) | ESR1ESR2NQO1HSD17B3 | |
| SCHEMBL14277816 | 0.79 | ESR1 (0.60) | ESR1ESR2NQO1KDM4EMEN1 | |
| SCHEMBL5113467 | 0.78 | NQO1 (0.49) | ESR1ESR2NQO1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101450950-A | Tetracyclic heterocompounds as estrogen receptor modulators | ORTHO MCNEIL PHARM INC (US) | 2009-06-10 | — | — | CN | disclosed |
| CN-1745085-A | Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators | ORTHO MCNEIL PHARM INC (US) | 2006-03-08 | — | — | CN | disclosed |