Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 3/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PRKACA | P17612 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707918 | 0.91 | CDC7 (0.38) | P2RX7GRM2CDC7MAP4K4PIM1 | |
| SCHEMBL4705551 | 0.80 | CDC7 (0.42) | CDC7MAP4K4PIM1PRKACACDK2 | |
| SCHEMBL4707828 | 0.80 | CDC7 (0.42) | CDC7MAP4K4PIM1PRKACACDK2 | |
| SCHEMBL6388287 | 0.80 | IDH1 (0.39) | IDH1P2RX7NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4708876 | 0.79 | GHSR (0.38) | SMN1; SMN2HTT | |
| SCHEMBL4705055 | 0.78 | ALDH1A1 (0.34) | SMN1; SMN2CDC7HTTL3MBTL1 | |
| SCHEMBL4707331 | 0.76 | IDH1 (0.37) | IDH1P2RX7NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4707548 | 0.75 | CDC7 (0.40) | GRM2CDC7MAP4K4PIM1PRKACA | |
| SCHEMBL5633626 | 0.75 | IDH1 (0.42) | IDH1P2RX7NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4705321 | 0.74 | TACR1 (0.35) | SMN1; SMN2GRM2CDC7MAP4K4PIM1 |
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 |