Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | SCN1A | P35498 | 3/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10663216 | 0.81 | HTR2A (0.37) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL10659974 | 0.79 | HTR2A (0.36) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL6972092 | 0.79 | L3MBTL1 (0.42) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL10663765 | 0.79 | TSHR (0.39) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL10472525 | 0.77 | SLC6A2 (0.47) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL16618551 | 0.74 | HTR2A (0.36) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL7662943 | 0.74 | CES2 (0.37) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL29178176 | 0.74 | CES2 (0.37) | HTR2ATAAR1HRH1SCN1ASCN2A | |
| SCHEMBL7672773 | 0.71 | DPP4 (0.35) | HTR2ATAAR1HRH1TSHRCA12 | |
| SCHEMBL4060487 | 0.71 | CYP2D6 (0.46) | LMNACYP1A2CYP2D6MAPK1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728646-A | ANTITHROMBOTICS | DR. KARL THOMAE GMBH (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4690923-A | ANTITHROMBOTICS | KARL THOMAE GMBH (DE) | 1987-09-01 | — | — | US | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |