Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 6/20 | 0.35 |
| ▸ | NOS3 | P29474 | 5/20 | 0.35 |
| ▸ | NOS1 | P29475 | 5/20 | 0.35 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL13013674 | 0.85 | EBP (0.37) | KDM4EALDH1A1EBPTSHR | |
| SCHEMBL23776737 | 0.82 | EBP (0.36) | EBPSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17285923 | 0.78 | SMN1; SMN2 (0.43) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL19943667 | 0.77 | EBP (0.34) | ALDH1A1NOS2NOS3NOS1EBP | |
| SCHEMBL16222435 | 0.77 | GNAI3 (0.44) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL19604923 | 0.75 | GNAI3 (0.47) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL21187222 | 0.75 | EBP (0.38) | EBP | |
| SCHEMBL27344005 | 0.75 | KDM4E (0.35) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL24207502 | 0.74 | NOS2 (0.38) | KDM4EALDH1A1NOS2NOS3NOS1 | |
| SCHEMBL25122581 | 0.74 | KDM4E (0.37) | KDM4EALDH1A1NOS2NOS3NOS1 |
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-2766346-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |