Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 6/20 | 0.33 |
| ▸ | HTR2C | P28335 | 6/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22877041 | 0.76 | NCF1 (0.36) | NCF1ACHE | |
| SCHEMBL18828781 | 0.76 | NCF1 (0.36) | NCF1ACHE | |
| SCHEMBL8188157 | 0.74 | NCF1 (0.34) | NCF1ACHE | |
| SCHEMBL8188154 | 0.74 | NCF1 (0.34) | NCF1ACHE | |
| SCHEMBL21037482 | 0.71 | CHRM2 (0.43) | NCF1 | |
| SCHEMBL12535934 | 0.69 | NCF1 (0.42) | NCF1ACHE | |
| SCHEMBL3376050 | 0.67 | — | — | |
| SCHEMBL46703 | 0.67 | L3MBTL3 (0.42) | NCF1HTR2AHTR2CL3MBTL1MEN1 | |
| SCHEMBL27349248 | 0.67 | NCF1 (0.40) | NCF1ACHE | |
| SCHEMBL8442130 | 0.67 | HTR2A (0.41) | NCF1HTR2AHTR2CL3MBTL1MEN1 |
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-3309148-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-04-18 | — | — | EP | disclosed |