Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.57 |
| ▸ | ADCY1 | Q08828 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | MGAM | O43451 | 2/20 | 0.55 |
| ▸ | SI | P14410 | 2/20 | 0.55 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12974156 | 0.96 | TSHR (0.62) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL13780839 | 0.89 | HDAC6 (0.45) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL12947946 | 0.87 | NPC1 (0.50) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL967480 | 0.86 | KDM4E (0.64) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL13780859 | 0.85 | MAPT (0.55) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL13780843 | 0.84 | KDM4E (0.62) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL10299344 | 0.83 | KDM4E (0.61) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL12948028 | 0.83 | HDAC6 (0.48) | NPC1RAB9AHSD17B10KDM4EADCY1 | |
| SCHEMBL1008450 | 0.82 | KDM4E (0.64) | NPC1RAB9AALOX15TSHRHSD17B10 | |
| SCHEMBL12948026 | 0.81 | KDM4E (0.49) | NPC1RAB9AHSD17B10KDM4EADCY1 |
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-2009080797-A1 | ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-07-02 | — | — | WO | disclosed |