Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL6598540 | 0.79 | TSHR (0.50) | TSHRTRPA1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL11337111 | 0.77 | TP53 (0.44) | TSHRTRPA1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL1852892 | 0.77 | ALDH1A1 (0.40) | TSHRTRPA1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL8251 | 0.71 | NOS2 (0.43) | TSHRTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL4762887 | 0.70 | TRPA1 (0.41) | TSHRTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL1653 | 0.68 | ALDH1A1 (0.55) | TSHRTRPA1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL4960402 | 0.67 | — | — | |
| SCHEMBL4589447 | 0.67 | GRIN2B (0.42) | TSHRTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL7462793 | 0.67 | TRPA1 (0.39) | TSHRTRPA1ALDH1A1CYP3A4MIF | |
| SCHEMBL17178869 | 0.66 | ALDH1A1 (0.52) | TSHRTRPA1ALDH1A1CYP3A4MIF |
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 |