Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.52 |
| ▸ | CXCL8 | P10145 | 3/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | MMP14 | P50281 | 2/20 | 0.46 |
| ▸ | MMP16 | P51512 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5215577 | 1.00 | PTGS2 (0.52) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL30338418 | 1.00 | PTGS2 (0.52) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL59839 | 1.00 | PTGS2 (0.52) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL8203180 | 0.88 | PTGS2 (0.42) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL27304888 | 0.85 | ALDH1A1 (0.40) | PTGS2CXCL8KDM4EALDH1A1CYP3A4 | |
| SCHEMBL2204495 | 0.84 | PTGS2 (0.56) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL1000051 | 0.84 | CXCL8 (0.44) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL7381015 | 0.84 | CYP3A4 (0.48) | PTGS2CXCL8MMP2MMP9MMP8 | |
| SCHEMBL250282 | 0.83 | CXCL8 (0.49) | PTGS2CXCL8KDM4EALDH1A1CYP3A4 | |
| SCHEMBL8664725 | 0.82 | MMP2 (0.48) | PTGS2CXCL8MMP2MMP9MMP8 |
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-2427476-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | Polyphor Ag (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127704-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-11-11 | — | — | WO | disclosed |