Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27850508 | 0.82 | TAAR1 (0.50) | ALDH1A1ABCC4LMNAGAATSHR | |
| SCHEMBL28181881 | 0.77 | CA12 (0.49) | — | |
| SCHEMBL30831199 | 0.76 | PTGS2 (0.59) | PTGS2GSTP1GPR84KDM4EALDH1A1 | |
| SCHEMBL19579580 | 0.76 | PTGS2 (0.59) | PTGS2GSTP1GPR84KDM4EALDH1A1 | |
| SCHEMBL14198823 | 0.75 | CYP1A2 (0.54) | RAB9AKMT2A | |
| SCHEMBL28160326 | 0.74 | CSNK2A1 (0.62) | MAOBFOLH1CSNK2A1 | |
| SCHEMBL13776801 | 0.73 | TSHR (0.48) | ALDH1A1MAOBTSHR | |
| SCHEMBL27459333 | 0.73 | MAPK1 (0.52) | ALDH1A1MAOBRAB9ATSHRFFAR1 | |
| SCHEMBL27587261 | 0.73 | PTGS2 (0.47) | PTGS2KDM4EALDH1A1MAOBLMNA | |
| SCHEMBL27432710 | 0.72 | PTGS2 (0.55) | PTGS2ALDH1A1RAB9AGAAPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1125044-C | Novel prostaglandin synthase inhibitors | DU PONT MERCK PHARMA (US) | 2003-10-22 | — | — | CN | claimed |
| CN-1166167-A | Novel prostaglandin synthase inhibitors | DU PONT MERCK PHARMA (US) | 1997-11-26 | — | — | CN | claimed |