Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL11658516 | 0.84 | ALDH1A1 (0.52) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| Sulfuric Acid SCHEMBL30504012 | 0.83 | ALDH1A1 (0.60) | ALDH1A1NR1I3KDM4EMAPTGRIN1 | |
| SCHEMBL10609244 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL27317899 | 0.79 | GRIN1 (0.55) | NR1I3GRIN1GRIN2BCYP19A1GRIN2D | |
| SCHEMBL156890 | 0.78 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL7313368 | 0.78 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL156889 | 0.78 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL15823552 | 0.72 | GRIN1 (0.67) | ALDH1A1NR1I3GRIN1GRIN2BGRIN2D | |
| SCHEMBL29558634 | 0.72 | GRIN1 (0.67) | ALDH1A1NR1I3GRIN1GRIN2BGRIN2D | |
| Sulfuric Acid SCHEMBL26670181 | 0.70 | KDM4E (0.89) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1102529-A | Fluorinated 4-aminoandrostadienone derivatives and process for their preparation | ERBA FARMITALIA (IT) | 1995-05-10 | — | — | CN | disclosed |
| CN-86104664-B | Process for preparing substituted androsta-1, 4-diene-3, 17-diones | 法米塔利亚·卡洛·埃巴公司 | 1988-06-29 | — | — | CN | disclosed |
| CN-87104750-A | 6 or 7-methylene radical androstane-1,4-diene-3, the preparation method of 17-diketone novel derivative | — | 1988-03-23 | — | — | CN | disclosed |
| CN-86104664-A | The hero-1 that replaces, 4-diene-3, the method for making of 17-cyclohexadione compounds | — | 1987-02-18 | — | — | CN | disclosed |