Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13637265 | 0.83 | PBRM1 (0.34) | DRD2ESR1HSD17B10CYP3A4DRD3 | |
| SCHEMBL17604686 | 0.69 | MPO (0.41) | CYP3A4ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL564823 | 0.69 | — | — | |
| SCHEMBL4971713 | 0.64 | PRKCG (0.41) | DRD2DRD4ESR1HSD17B10CYP3A4 | |
| SCHEMBL29853749 | 0.62 | MAOA (0.48) | DRD2DRD4ESR1HSD17B10CYP3A4 | |
| SCHEMBL20481887 | 0.61 | TSHR (0.42) | HSD17B10OPRK1ALDH1A1KDM4E | |
| SCHEMBL1697236 | 0.60 | CYP3A4 (0.43) | DRD2DRD4ESR1HSD17B10CYP3A4 | |
| SCHEMBL8408108 | 0.59 | — | — | |
| SCHEMBL21318766 | 0.59 | — | — | |
| SCHEMBL14317167 | 0.59 | DRD1 (0.61) | DRD2DRD4ESR1HSD17B10DRD3 |
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-2564857-B1 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS INC (US) | 2017-05-03 | — | — | EP | disclosed |
| EP-2564857-A1 | Boron-containing small molecules as anti-inflammatory agents | Anacor Pharmaceuticals, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |