Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | RPA1 | P27694 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24786148 | 0.89 | NOTUM (0.40) | KDM4EGABRA2GABRB2LMNAMYC | |
| SCHEMBL22062699 | 0.83 | KDM4E (0.43) | KDM4EGABRA2GABRB2MYCNR4A1 | |
| SCHEMBL4425274 | 0.83 | KMO (0.47) | KDM4EGABRA2GABRB2RPA1 | |
| SCHEMBL24785917 | 0.83 | GABRA2 (0.44) | KDM4EGABRA2GABRB2LMNAMYC | |
| SCHEMBL20176168 | 0.82 | KDM4E (0.42) | KDM4EGABRA2GABRB2LMNAMYC | |
| SCHEMBL27655886 | 0.79 | KDM4E (0.56) | KDM4ELMNANOTUM | |
| SCHEMBL16983109 | 0.79 | PSEN1 (0.44) | — | |
| SCHEMBL18330391 | 0.79 | MAPK14 (0.40) | KDM4ELMNA | |
| SCHEMBL27896033 | 0.77 | KDM4E (0.58) | KDM4EGABRA2GABRB2NOTUM | |
| SCHEMBL20344947 | 0.75 | MAPK14 (0.36) | KDM4EGABRA2LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3868753-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2022-12-21 | — | — | EP | disclosed |
| EP-3328851-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2020-04-22 | — | — | EP | disclosed |
| EP-3310777-B1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-09 | — | — | EP | disclosed |
| WO-2017019819-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |
| WO-2017019821-A1 | FACTOR XIA NEW MACROCYCLE BEARING A NON-AROMATIC P2' GROUP | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |
| WO-2016205482-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-22 | — | — | WO | disclosed |