Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 3/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19872661 | 0.84 | PLA2G2A (0.47) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL18509302 | 0.83 | EGFR (0.46) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL21392131 | 0.83 | GPR17 (0.48) | GPR17EGFRHDAC6NPC1RAB9A | |
| SCHEMBL18509969 | 0.83 | EGFR (0.46) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL21392040 | 0.81 | PLA2G2A (0.50) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL18509495 | 0.81 | EGFR (0.47) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL19872668 | 0.81 | EGFR (0.44) | GPR17EGFRHDAC6NPC1RAB9A | |
| SCHEMBL18509555 | 0.80 | EGFR (0.43) | GPR17EGFRHDAC6NPC1RAB9A | |
| SCHEMBL18509968 | 0.79 | SLC22A12 (0.42) | EGFRHDAC6NPC1RAB9AALDH1A1 | |
| SCHEMBL18509698 | 0.78 | EGFR (0.46) | GPR17EGFRHDAC6NPC1RAB9A |
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-2019183358-A2 | WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2019-09-26 | — | — | WO | disclosed |