Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.68 |
| ▸ | NOS3 | P29474 | 4/20 | 0.68 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.62 |
| ▸ | HTR3B | O95264 | 1/20 | 0.62 |
| ▸ | HTR3A | P46098 | 1/20 | 0.62 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.62 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9202763 | 0.98 | NOS1 (0.68) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL3812219 | 0.82 | HTR3E (0.77) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Iodide SCHEMBL3121721 | 0.82 | HTR3E (0.55) | NOS1NOS3HTR3EHTR3BHTR3A | |
| Nitric Acid SCHEMBL1368 | 0.80 | HTR3E (0.72) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Iodide SCHEMBL8618701 | 0.80 | NOS1 (1.00) | NOS1NOS3NOS2TSHRLMNA | |
| Iodide SCHEMBL3124081 | 0.77 | HTR3E (0.50) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL6279588 | 0.76 | HTR3E (0.62) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL13057993 | 0.76 | HTR3E (0.62) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10155667 | 0.75 | NOS1 (0.55) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL6725079 | 0.74 | MAPK1 (0.65) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | WO | disclosed |