Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.57 |
| ▸ | NOS3 | P29474 | 6/20 | 0.57 |
| ▸ | NOS1 | P29475 | 6/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18093431 | 0.86 | NOS2 (0.40) | NOS2NOS3NOS1S1PR2KMT2A | |
| SCHEMBL7992419 | 0.84 | SMN1; SMN2 (0.44) | NOS2NOS3NOS1S1PR2KMT2A | |
| SCHEMBL6464978 | 0.83 | NOS2 (0.70) | NOS2NOS3NOS1 | |
| SCHEMBL18489400 | 0.80 | S1PR2 (0.50) | NOS2NOS3NOS1S1PR2KMT2A | |
| SCHEMBL27663402 | 0.80 | S1PR2 (0.37) | NOS2NOS3NOS1S1PR2KMT2A | |
| SCHEMBL14419720 | 0.80 | NOS2 (0.36) | NOS2NOS3NOS1S1PR2KMT2A | |
| SCHEMBL10272045 | 0.79 | NOS3 (0.39) | NOS2NOS3KMT2AKDM4E | |
| SCHEMBL2632832 | 0.77 | ALDH1A1 (0.49) | NOS2NOS3KMT2AKDM4ENPSR1 | |
| SCHEMBL29770781 | 0.77 | ALDH1A1 (0.49) | NOS2NOS3KMT2AKDM4ENPSR1 | |
| SCHEMBL165100 | 0.77 | — | — |
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-3341370-B1 | CGRP RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2021-04-28 | — | — | EP | disclosed |