Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL8 | P10145 | 4/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL8046688 | 0.75 | CXCL8 (0.49) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL8061466 | 0.75 | PTGS2 (0.47) | CXCL8CYSLTR2CYSLTR1PTGS2ADRA1A | |
| SCHEMBL8057238 | 0.75 | CXCL8 (0.43) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL8059092 | 0.74 | NAPRT (0.51) | CXCL8SMN1; SMN2CFDFDPSCYP2C9 | |
| SCHEMBL8061558 | 0.74 | PTGS2 (0.47) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL8061440 | 0.74 | CXCL8 (0.58) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL8046473 | 0.73 | CXCL8 (0.44) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL7604656 | 0.73 | NR1H4 (0.45) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 | |
| SCHEMBL8064063 | 0.72 | MMP2 (0.46) | PTGS2NR1H4PTGS1SMN1; SMN2MAPT | |
| SCHEMBL7744719 | 0.71 | CNR1 (0.45) | CXCL8PTGS2ADRA1ANR1H4AKR1B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046180-A | NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |