Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 10/20 | 0.40 |
| ▸ | JAK2 | O60674 | 9/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | ROS1 | P08922 | 1/20 | 0.35 |
| ▸ | FGR | P09769 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | TIE1 | P35590 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21732101 | 0.87 | JAK2 (0.38) | NTRK1JAK2SLC6A9MAOBMAOA | |
| SCHEMBL21723531 | 0.82 | NTRK1 (0.40) | NTRK1JAK2SLC6A9HDAC1HDAC8 | |
| SCHEMBL21723160 | 0.81 | HDAC1 (0.40) | NTRK1JAK2SLC6A9HDAC1HDAC8 | |
| SCHEMBL21732284 | 0.73 | RORC (0.49) | NTRK1JAK2 | |
| SCHEMBL21732102 | 0.73 | NTRK1 (0.44) | NTRK1JAK2SLC6A9MAOBMAOA | |
| SCHEMBL21723232 | 0.72 | BACE1 (0.39) | NTRK1JAK2SLC6A9MAOBMAOA | |
| SCHEMBL21732277 | 0.71 | NTRK1 (0.51) | NTRK1JAK2INSRLYNRET | |
| SCHEMBL21732293 | 0.69 | NTRK1 (0.46) | NTRK1JAK2SLC6A9MAOBMAOA | |
| SCHEMBL21732201 | 0.69 | HDAC6 (0.44) | NTRK1HDAC1HDAC8HDAC6MAOB | |
| SCHEMBL23170498 | 0.62 | RIPK1 (0.38) | MAOBMAOA |
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-2020035557-A1 | NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2020-02-20 | — | — | WO | disclosed |