Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23199818 | 0.88 | HTR1A (0.35) | KDM4EALDH1A1KMT2AGLAGAA | |
| SCHEMBL9938199 | 0.87 | PDGFRB (0.41) | KDM4EALDH1A1KMT2AGLAGAA | |
| SCHEMBL30645497 | 0.87 | KMT2A (0.42) | KDM4EALDH1A1KMT2AGLAGAA | |
| Hydrochloric Acid SCHEMBL23199823 | 0.86 | PDGFRB (0.40) | KDM4EALDH1A1KMT2AGLAGAA | |
| SCHEMBL668901 | 0.86 | CA12 (0.41) | KDM4EALDH1A1KMT2AGLAGAA | |
| SCHEMBL996026 | 0.86 | CA12 (0.41) | KDM4EALDH1A1KMT2AGLAGAA | |
| SCHEMBL9938270 | 0.85 | ACHE (0.40) | ACHERAB9A | |
| SCHEMBL9938274 | 0.83 | ELANE (0.38) | ALDH1A1HPGDHSD17B10SMN1; SMN2ELANE | |
| SCHEMBL9938614 | 0.83 | MEN1 (0.42) | KMT2AELANEHTR1DHTR1B | |
| SCHEMBL19253296 | 0.81 | NCEH1 (0.30) | KMT2ASMN1; SMN2MAPT |
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 |