Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SLC29A1 | Q99808 | 14/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL11048924 | 0.92 | NPC1 (0.32) | SLC29A1SMN1; SMN2HTT | |
| SCHEMBL11050062 | 0.87 | CYP1A2 (0.40) | CYP1A2SLC29A1ALDH1A1HPGDKDM4E | |
| SCHEMBL11049372 | 0.86 | SLC29A1 (0.31) | SLC29A1ALDH1A1HPGDKDM4ECYP2C9 | |
| SCHEMBL11029801 | 0.86 | CYP1A2 (0.40) | CYP1A2SLC29A1ALDH1A1HPGDKDM4E | |
| SCHEMBL11026793 | 0.84 | ALDH1A1 (0.43) | SLC29A1ALDH1A1HPGDHTT | |
| SCHEMBL11049672 | 0.84 | CYP1A2 (0.41) | CYP1A2SLC29A1ALDH1A1HPGDKDM4E | |
| SCHEMBL11026091 | 0.84 | — | — | |
| SCHEMBL10969508 | 0.82 | SLC29A1 (0.38) | CYP1A2SLC29A1ALDH1A1HPGDKDM4E | |
| SCHEMBL11047615 | 0.82 | HRH4 (0.40) | SLC29A1ALDH1A1HPGDHTT | |
| SCHEMBL11046142 | 0.82 | CDK1 (0.41) | KDM4EMAPTTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0055444-B1 | TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |
| EP-0055444-A2 | Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1982-07-07 | — | — | EP | disclosed |