Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.69 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.52 |
| ▸ | CCKBR | P32239 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.52 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL332630 | 0.83 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL5445913 | 0.79 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL9720834 | 0.79 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL8184195 | 0.79 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL5290299 | 0.79 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL7159462 | 0.79 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL28706403 | 0.79 | CYP11B1 (0.67) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL8306981 | 0.79 | CYP11B1 (0.61) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| Hydrochloric Acid SCHEMBL5287102 | 0.78 | CYP11B1 (0.71) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 | |
| SCHEMBL12199510 | 0.78 | CYP11B1 (0.89) | CYP11B1CYP11B2CYP19A1CYP3A4NR1I2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108864102-A | ERK inhibitor and application method | 库拉肿瘤学公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105636586-B | ERK inhibitors and methods of use | 库拉肿瘤学公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-105636586-A | ERK inhibitors and methods of use | ARAXES PHARMA LLC | 2016-06-01 | — | — | CN | disclosed |