Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 9/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL695794 | 0.79 | ALDH1A1 (0.31) | ALDH1A1LMNA | |
| SCHEMBL1900342 | 0.79 | ALDH1A1 (0.31) | ALDH1A1LMNA | |
| SCHEMBL468785 | 0.76 | ADRA2C (0.34) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1993537 | 0.76 | LMNA (0.36) | ALDH1A1KDM4ELMNA | |
| SCHEMBL2479706 | 0.72 | — | — | |
| SCHEMBL2476107 | 0.72 | CHRNA7 (0.42) | ALDH1A1KDM4E | |
| SCHEMBL2481612 | 0.72 | KDM4E (0.40) | ALDH1A1KDM4E | |
| SCHEMBL2480855 | 0.72 | HRH3 (0.34) | — | |
| SCHEMBL712689 | 0.69 | ADRB1 (0.38) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2479690 | 0.69 | HRH3 (0.34) | ALDH1A1HRH1HTR6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| EP-2376494-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES | MSD K.K. (JP) | 2011-10-19 | — | — | EP | disclosed |
| EP-2376493-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE | MSD K.K. (JP) | 2011-10-19 | — | — | EP | disclosed |
| WO-2011053510-A1 | HETEROCYCLYL SUBSTITUTED ARYLINDENOPY-RIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |
| WO-2010067886-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010067888-A1 | DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-06-17 | — | — | WO | disclosed |