Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 2/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23110934 | 0.90 | PGK1 (0.47) | TSHRTP53NPC1RAB9ACLK4 | |
| SCHEMBL23110957 | 0.74 | FYN (0.58) | PDGFRBPDGFRATSHRTP53NPC1 | |
| SCHEMBL23110928 | 0.73 | PIK3CD (0.34) | RAB9AMAPK14 | |
| SCHEMBL28700972 | 0.72 | CYP1A2 (0.50) | PDGFRBPDGFRATSHRCLK4CYP1A2 | |
| SCHEMBL30725768 | 0.72 | CYP1A2 (0.50) | PDGFRBPDGFRATSHRCLK4CYP1A2 | |
| SCHEMBL23110907 | 0.72 | CCR4 (0.34) | TP53CLK4CYP1A2MEN1KMT2A | |
| SCHEMBL23110919 | 0.72 | CCR4 (0.35) | CLK4CYP1A2MAPK14MAPK13MAPK12 | |
| SCHEMBL23110512 | 0.71 | PIK3CD (0.32) | MAPK14ALDH1A1HPGDMAPK1USP2 | |
| SCHEMBL29338716 | 0.68 | PDGFRB (0.53) | PDGFRBPDGFRATSHRTP53NPC1 | |
| SCHEMBL22828100 | 0.68 | PTGS2 (0.67) | PDGFRBTSHRTP53NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021050700-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-03-18 | — | — | WO | disclosed |