Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL405945 | 0.84 | PARP1 (0.49) | PARP1RXFP1ALDH1A1PIM3PIM1 | |
| Water SCHEMBL9602170 | 0.81 | CASP3 (0.47) | PARP1HSP90AB1MPOMEN1MAPT | |
| SCHEMBL5528653 | 0.78 | GPR3 (0.48) | PARP1ALDH1A1HSD17B10 | |
| SCHEMBL405015 | 0.75 | HRH4 (0.54) | ALDH1A1KDM4EUSP2 | |
| SCHEMBL30182296 | 0.74 | PDPK1 (0.32) | — | |
| SCHEMBL405419 | 0.74 | KDM4E (0.49) | KDM4EKMT2A | |
| SCHEMBL25021728 | 0.71 | PARP1 (0.60) | PARP1RXFP1ALDH1A1PIM3PIM1 | |
| SCHEMBL2122835 | 0.68 | MPO (0.51) | RXFP1FABP3FABP4HSP90AB1MPO | |
| SCHEMBL405016 | 0.68 | ALDH1A1 (0.50) | HSP90AB1MPOALDH1A1PIM3PIM1 | |
| SCHEMBL12501269 | 0.68 | MPO (0.58) | FABP3FABP4HSP90AB1MPOALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2324029-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010030785-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS INC. (US) | 2010-03-18 | — | — | WO | disclosed |