Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 11/20 | 0.35 |
| ▸ | JAK2 | O60674 | 6/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28305223 | 0.90 | SCN9A (0.36) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL17848842 | 0.84 | KDM1A (0.41) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL17848844 | 0.84 | KDM1A (0.41) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL18555658 | 0.79 | NTRK1 (0.32) | NTRK1JAK2 | |
| SCHEMBL22013225 | 0.79 | RIPK1 (0.38) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL23825285 | 0.79 | RIPK1 (0.38) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL29200705 | 0.79 | RIPK1 (0.38) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL22175210 | 0.78 | KDM1A (0.36) | KDM1AKDM1BSCN9ARIPK1NTRK1 | |
| SCHEMBL24081006 | 0.78 | KDM1A (0.36) | KDM1AKDM1BSCN9ARIPK1 | |
| SCHEMBL454486 | 0.77 | RIPK1 (0.46) | RIPK1NTRK1JAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233863-A1 | FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS | CMG Pharmaceutical Co., Ltd. (KR) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097869-A1 | FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS | CMG PHARMACEUTICAL CO., LTD. (KR) | 2016-06-23 | — | — | WO | disclosed |