Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CKS1B | P61024 | 3/20 | 0.45 |
| ▸ | SKP1 | P63208 | 3/20 | 0.45 |
| ▸ | SKP2 | Q13309 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | SMO | Q99835 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15347514 | 0.83 | HSD11B1 (0.55) | HSD11B1USP30CKS1BSKP1SKP2 | |
| SCHEMBL2001966 | 0.80 | ALDH1A1 (0.60) | DRD2ALDH1A1KDM4ECKS1BSKP1 | |
| SCHEMBL12469030 | 0.77 | HSD11B1 (0.56) | HSD11B1USP30CKS1BSKP1SKP2 | |
| SCHEMBL3289000 | 0.75 | HTR3E (0.58) | HSD11B1ALDH1A1TSHRNFKB1CKS1B | |
| SCHEMBL15347683 | 0.73 | HSD11B1 (0.42) | HSD11B1DRD2GRM5 | |
| SCHEMBL30076960 | 0.73 | HSD11B1 (0.42) | HSD11B1DRD2GRM5 | |
| SCHEMBL1729064 | 0.73 | CNR1 (0.52) | HSD11B1USP30ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL2974486 | 0.73 | CA12 (0.60) | DRD2USP30ALDH1A1KDM4E | |
| SCHEMBL1579559 | 0.73 | HSD11B1 (0.49) | HSD11B1DRD2DRD3USP30ALDH1A1 | |
| SCHEMBL4334757 | 0.72 | TRPV1 (0.51) | CKS1BSKP1SKP2SMOMEN1 |
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-2627649-A1 | CXCR4 RECEPTOR ANTAGONISTS | Proximagen Limited (GB) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012049277-A1 | CXCR4 RECEPTOR ANTAGONISTS | PROXIMAGEN LTD (GB) | 2012-04-19 | — | — | WO | disclosed |