Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708132 | 0.91 | GRM2 (0.36) | P2RX7GRM2POLBHTTL3MBTL1 | |
| SCHEMBL4707706 | 0.83 | IDH1 (0.42) | IDH1P2RX7GPBAR1 | |
| SCHEMBL4707319 | 0.81 | GRM2 (0.36) | P2RX7GRM2HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL4708438 | 0.80 | CDC7 (0.41) | GRM2HTTL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5633626 | 0.76 | IDH1 (0.42) | IDH1P2RX7GRM2POLBHTT | |
| SCHEMBL4706229 | 0.76 | IDH1 (0.44) | IDH1GRM2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6388287 | 0.76 | IDH1 (0.39) | IDH1P2RX7GRM2NPC1RAB9A | |
| SCHEMBL4705841 | 0.76 | IDH1 (0.36) | IDH1P2RX7GRM2POLBHTT | |
| SCHEMBL4709676 | 0.75 | RORB (0.46) | IDH1 | |
| SCHEMBL4707893 | 0.75 | P2RX7 (0.41) | IDH1P2RX7GRM2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |