Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 4/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12352194 | 1.00 | CA1 (0.46) | CA1ACE2L3MBTL1FDPSFFAR1 | |
| SCHEMBL16417920 | 0.98 | CA1 (0.44) | CA1ACE2L3MBTL1FDPSFFAR1 | |
| SCHEMBL12352262 | 0.82 | DPP4 (0.41) | TP53 | |
| SCHEMBL10290448 | 0.81 | MMP3 (0.38) | FFAR1GPR84MAPT | |
| SCHEMBL12352384 | 0.80 | ARG1 (0.34) | CA1FFAR1GPR84MAPTPOLB | |
| SCHEMBL12352198 | 0.79 | L3MBTL1 (0.53) | CA1ACE2L3MBTL1FDPSFFAR4 | |
| SCHEMBL12351438 | 0.79 | CA1 (0.52) | CA1ACE2L3MBTL1FDPSFFAR1 | |
| SCHEMBL16664155 | 0.77 | CA1 (0.50) | CA1ACE2L3MBTL1FDPSFFAR1 | |
| SCHEMBL12352197 | 0.76 | CA1 (0.48) | CA1ACE2L3MBTL1FDPSFFAR1 | |
| SCHEMBL12352293 | 0.76 | CA1 (0.48) | CA1ACE2L3MBTL1FDPSFFAR1 |
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-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |