Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL145464 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL340506 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL8773579 | 0.74 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL2091389 | 0.74 | KDM4E (0.39) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL134856 | 0.73 | SMN1; SMN2 (0.52) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL6140636 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL16962517 | 0.71 | CA1 (0.40) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL1709964 | 0.71 | CD44 (0.52) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL11358465 | 0.71 | CA12 (0.42) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL21323407 | 0.71 | SCN4A (0.42) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A |
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 |