Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13375276 | 0.78 | MAP2K4 (0.49) | MAP2K4NTRK1PDPK1JAK2MAPK1 | |
| SCHEMBL28686154 | 0.74 | NTRK1 (0.45) | NTRK1HAO1PDPK1JAK2 | |
| SCHEMBL5510618 | 0.71 | NOS1 (0.44) | MAP2K4PDPK1JAK2KDM4EALDH1A1 | |
| SCHEMBL14755242 | 0.69 | MAP2K4 (0.35) | MAP2K4NTRK1MAPK1 | |
| SCHEMBL1553551 | 0.68 | ITK (0.46) | MAP2K4KDM4EALDH1A1MAPK1 | |
| SCHEMBL5510054 | 0.68 | FADS1 (0.49) | JAK2 | |
| SCHEMBL2029129 | 0.68 | JAK2 (0.63) | NTRK1PDPK1JAK2LRRK2MAPT | |
| SCHEMBL759158 | 0.68 | GSK3B (0.51) | PDPK1JAK2KDM4EMEN1ALDH1A1 | |
| SCHEMBL14493350 | 0.68 | MAP2K4 (0.53) | MAP2K4KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL17680647 | 0.68 | JAK2 (0.36) | MAP2K4PDPK1JAK2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024258-B | Pyrrolopyrazine kinase inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-02-15 | — | — | CN | disclosed |