Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | RRM1 | P23921 | 1/20 | 0.36 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 2/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16983106 | 0.91 | FPR2 (0.40) | GRM5KCNH2NOTUMCHRM2CHRM1 | |
| SCHEMBL21901535 | 0.85 | GRM5 (0.37) | GRM5CREBBPPDE3BPDE3ALRRK2 | |
| SCHEMBL16983114 | 0.78 | FGFR3 (0.51) | GRM5KCNH2NOTUMLRRK2PROKR1 | |
| SCHEMBL17661863 | 0.77 | PDE3B (0.42) | KCNH2CHRM2CHRM1RRM1RRM2B | |
| SCHEMBL28357618 | 0.77 | KCNH2 (0.40) | GRM5KCNH2NOTUMLRRK2HSD11B1 | |
| SCHEMBL16982964 | 0.77 | GRM5 (0.39) | GRM5KCNH2NOTUMLRRK2HSD11B1 | |
| SCHEMBL17666290 | 0.76 | PDE3B (0.42) | GRM5CREBBPPDE3BPDE3ALRRK2 | |
| SCHEMBL16983116 | 0.75 | KCNH2 (0.50) | GRM5KCNH2NOTUMPDE3BPDE3A | |
| SCHEMBL18797473 | 0.75 | FPR2 (0.43) | KCNH2CHRM2CHRM1RRM1RRM2B | |
| SCHEMBL20360209 | 0.73 | FPR2 (0.40) | KCNH2CHRM2CHRM1RRM1RRM2B |
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-3328851-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2020-04-22 | — | — | EP | disclosed |