Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 8/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MARS1 | P56192 | 1/20 | 0.39 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3932992 | 0.88 | CYP11B1 (0.56) | CYP11B1CYP11B2GPBAR1CCNCCDK8 | |
| Hydrochloric Acid SCHEMBL28186334 | 0.87 | CYP11B1 (0.54) | CYP11B1CYP11B2GPBAR1CCNCCDK8 | |
| SCHEMBL15795442 | 0.84 | CYP11B1 (0.56) | CYP11B1CYP11B2GPBAR1IDO1PKM | |
| SCHEMBL7169286 | 0.84 | CYP11B1 (0.57) | CYP11B1CYP11B2GPBAR1IDO1 | |
| SCHEMBL27353030 | 0.83 | CYP11B1 (0.54) | CYP11B1CYP11B2GPBAR1CCNCCDK8 | |
| SCHEMBL28683880 | 0.81 | CYP11B1 (0.70) | CYP11B1CYP11B2TSHRALDH1A1 | |
| SCHEMBL6708657 | 0.80 | CYP11B1 (0.72) | CYP11B1CYP11B2 | |
| SCHEMBL15654239 | 0.80 | CCR9 (0.47) | CYP11B1CYP11B2IDO1ALDH1A1MMP13 | |
| SCHEMBL7818410 | 0.79 | CYP11B1 (0.70) | CYP11B1CYP11B2 | |
| SCHEMBL26202128 | 0.77 | CCR2 (0.53) | CYP11B1CYP11B2GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |