Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 12/20 | 0.44 |
| ▸ | CTSS | P25774 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23049413 | 0.88 | SMN1; SMN2 (0.45) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL7519614 | 0.88 | SMN1; SMN2 (0.44) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL4038634 | 0.87 | SMN1; SMN2 (0.46) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL4038638 | 0.87 | SMN1; SMN2 (0.46) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL7447397 | 0.86 | SMN1; SMN2 (0.43) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL10256486 | 0.85 | SMN1; SMN2 (0.45) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL616662 | 0.84 | SMN1; SMN2 (0.54) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL616663 | 0.84 | SMN1; SMN2 (0.54) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL212772 | 0.84 | CTSK (0.47) | SMN1; SMN2CTSKCTSSCA1CA2 | |
| SCHEMBL15083313 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2CTSKCTSSCYP1A2CYP2C9 |
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 3 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 |
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |