Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18330399 | 0.89 | KDM4E (0.48) | NOTUMKDM4ELMNAGABRA2GABRB2 | |
| SCHEMBL16983109 | 0.79 | PSEN1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL18330391 | 0.79 | MAPK14 (0.40) | KDM4EALDH1A1AKR1C3LMNAPSEN1 | |
| SCHEMBL20344947 | 0.75 | MAPK14 (0.36) | KDM4EALDH1A1AKR1C3LMNAGABRA2 | |
| SCHEMBL24786151 | 0.75 | NOTUM (0.41) | NOTUMKDM4EPSEN1PSEN2APH1B | |
| SCHEMBL19412854 | 0.74 | KDM4E (0.38) | NOTUMKDM4EALDH1A1GABRA2GABRB2 | |
| SCHEMBL16983111 | 0.74 | JAK2 (0.38) | KDM4EALDH1A1AKR1C3PSEN1PSEN2 | |
| SCHEMBL16983117 | 0.72 | SCN9A (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL15959084 | 0.72 | PSEN1 (0.43) | MYCPDE4BPDE4DPSEN1PSEN2 | |
| SCHEMBL19412853 | 0.72 | F11 (0.39) | KDM4EALDH1A1AKR1C3GABRA2PSEN1 |
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-3868753-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2022-12-21 | — | — | EP | disclosed |