Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | LTK | P29376 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL170787 | 0.96 | DPP4 (0.54) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| Biphenyl SCHEMBL7928631 | 0.94 | DPP4 (0.52) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL28758160 | 0.94 | DPP4 (0.52) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL27684898 | 0.94 | DPP4 (0.52) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| Water SCHEMBL821345 | 0.94 | DPP4 (0.52) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| Cyanide SCHEMBL29219587 | 0.90 | GABRA1 (0.48) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL28267634 | 0.90 | GABRA1 (0.48) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL27886719 | 0.89 | GABRA1 (0.47) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL27986059 | 0.88 | GABRA1 (0.47) | GABRA1GABRB2AKR1B1DPP4PDCD1 | |
| SCHEMBL3125568 | 0.88 | GABRA1 (0.50) | GABRA1GABRB2AKR1B1DPP4PDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | disclosed |