Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGDS | O60760 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9938614 | 0.85 | MEN1 (0.42) | — | |
| SCHEMBL9938270 | 0.84 | ACHE (0.40) | ACHEBCHE | |
| SCHEMBL668901 | 0.83 | CA12 (0.41) | LMNASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL996026 | 0.83 | CA12 (0.41) | LMNASMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL31665720 | 0.83 | ACHE (0.32) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL23199797 | 0.82 | CA2 (0.34) | — | |
| SCHEMBL15261365 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL9938274 | 0.80 | ELANE (0.38) | LMNASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9938547 | 0.80 | KDM4E (0.40) | ACHELMNASMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL19253296 | 0.79 | NCEH1 (0.30) | SMN1; SMN2 |
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 |