Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP15 | Q460N3 | 4/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16481200 | 0.95 | KCNH2 (0.53) | PARP15PARP10KCNH2HRH3PARP2 | |
| SCHEMBL9014045 | 0.87 | TDP1 (0.59) | KCNH2HRH3DRD2DRD4TDP1 | |
| SCHEMBL16481402 | 0.82 | ACACB (0.50) | KCNH2HRH3DRD2DRD4ACACB | |
| SCHEMBL14922298 | 0.80 | DRD2 (0.51) | HRH3DRD2DRD4KDM4EMEN1 | |
| SCHEMBL788430 | 0.80 | SIGMAR1 (0.56) | KCNH2DRD2DRD4TDP1SIGMAR1 | |
| SCHEMBL19849041 | 0.79 | ACACA (0.50) | DRD2DRD4ACACBKDM4E | |
| SCHEMBL9014033 | 0.78 | PARP15 (0.42) | PARP15PARP10PARP2ACACBALDH1A1 | |
| SCHEMBL20000622 | 0.78 | HRH3 (0.58) | KCNH2HRH3DRD2ACACBKDM4E | |
| Fumaric Acid SCHEMBL9014035 | 0.77 | TDP1 (0.48) | PARP15PARP10KCNH2HRH3PARP2 | |
| Fumaric Acid SCHEMBL9014027 | 0.77 | TDP1 (0.48) | PARP15PARP10KCNH2HRH3PARP2 |
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-2997024-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2018-03-28 | — | — | EP | disclosed |