Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL668901 | 0.89 | CA12 (0.41) | CA2CA12CA9TDP1LMNA | |
| SCHEMBL996026 | 0.89 | CA12 (0.41) | CA2CA12CA9TDP1LMNA | |
| Hydrochloric Acid SCHEMBL23199782 | 0.88 | ESR1 (0.35) | — | |
| SCHEMBL9938547 | 0.83 | KDM4E (0.40) | ELANEHTR1DHTR1BL3MBTL1LMNA | |
| SCHEMBL9938614 | 0.83 | MEN1 (0.42) | ELANECA2HTR1DHTR1B | |
| SCHEMBL19253296 | 0.81 | NCEH1 (0.30) | SMN1; SMN2 | |
| SCHEMBL26104675 | 0.81 | MEN1 (0.30) | SMN1; SMN2 | |
| SCHEMBL15539879 | 0.81 | KDM4E (0.39) | CA2CA12CA9TDP1ALDH1A1 | |
| SCHEMBL9938270 | 0.80 | ACHE (0.40) | — | |
| Hydrochloric Acid SCHEMBL23199797 | 0.80 | CA2 (0.34) | ELANECA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651916-A2 | C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 | BioMarin Pharmaceutical Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083112-A2 | CYP11B, CYP17, AND/OR CYP21 INHIBITORS | BIOMARIN PHARMACEUTICAL INC. (US) | 2012-06-21 | — | — | WO | disclosed |