Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2094032 | 0.71 | NOS1 (0.48) | NOS3NOS1NOS2KDM1AKDM1B | |
| SCHEMBL5213538 | 0.68 | DRD2 (0.38) | NOS3NOS1NOS2 | |
| SCHEMBL8038863 | 0.66 | CA1 (0.41) | NOS3NOS1NOS2KDM1AKDM1B | |
| SCHEMBL27203816 | 0.66 | CHRNB2 (0.42) | KDM1AKDM1BCHRNB2CHRNA4MEN1 | |
| SCHEMBL413656 | 0.61 | ALDH1A1 (0.43) | NOS3NOS1NOS2KDM1AKDM1B | |
| SCHEMBL30298332 | 0.61 | ALDH1A1 (0.43) | NOS3NOS1NOS2KDM1AKDM1B | |
| SCHEMBL16422219 | 0.61 | NOS3 (0.34) | NOS3NOS1NOS2CHRNB2CHRNA4 | |
| SCHEMBL22143868 | 0.60 | DRD2 (0.44) | KDM1AKDM1BCHRNB2CHRNA4HTR2C | |
| SCHEMBL26176614 | 0.60 | DRD2 (0.44) | KDM1AKDM1BCHRNB2CHRNA4HTR2C | |
| SCHEMBL12875536 | 0.60 | KDM1A (0.63) | KDM1AKDM1BCHRNB2CHRNA4MEN1 |
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-0712850-B1 | Herbicidal novel 1-cyclopropyl tetrazolinones | BAYER AGROCHEM KK (JP) | 2000-04-05 | — | — | EP | claimed |