Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20359185 | 0.82 | TSHR (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL16054891 | 0.82 | IDH1 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL30702135 | 0.82 | TSHR (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL16983109 | 0.80 | PSEN1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL18330391 | 0.80 | MAPK14 (0.40) | MAPK14PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28829834 | 0.78 | CPB1 (0.42) | KDM4EALDH1A1HCAR1LMNAHPGD | |
| SCHEMBL11349250 | 0.76 | HSD17B10 (0.40) | ALDH1A1HCAR1LMNA | |
| SCHEMBL24786148 | 0.75 | NOTUM (0.40) | MAPK14PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL18330399 | 0.75 | KDM4E (0.48) | KDM4ELMNAGABRA2 | |
| SCHEMBL19412854 | 0.75 | KDM4E (0.38) | MAPK14PSEN1PSEN2APH1BNCSTN |
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-3099687-B1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-07-04 | — | — | EP | disclosed |