Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 2/20 | 0.45 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.45 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.45 |
| ▸ | PPID | Q08752 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8852294 | 0.91 | ALOX5 (0.48) | ALOX5CYP4F2CYP4A11LTA4HALDH1A1 | |
| SCHEMBL8850865 | 0.84 | ALDH1A1 (0.49) | LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL8851464 | 0.82 | PPID (0.50) | ALOX5CYP4F2CYP4A11LTA4HALDH1A1 | |
| SCHEMBL9234737 | 0.81 | TSHR (0.55) | ALDH1A1 | |
| SCHEMBL260297 | 0.79 | ALOX5 (0.76) | ALOX5CYP4F2CYP4A11SMN1; SMN2CYP1A2 | |
| SCHEMBL9232120 | 0.79 | TDP1 (0.51) | ALOX5LTA4HALDH1A1SMN1; SMN2TOP2A | |
| SCHEMBL8851629 | 0.79 | HDAC3 (0.57) | LTA4HALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL24768581 | 0.78 | ALDH1A1 (0.58) | ALOX5CYP4F2CYP4A11LTA4HALDH1A1 | |
| SCHEMBL6328999 | 0.78 | ALOX5 (0.69) | ALOX5CYP4F2CYP4A11LTA4HALDH1A1 | |
| Hydrochloric Acid SCHEMBL27794216 | 0.78 | ALOX5 (0.74) | ALOX5CYP4F2CYP4A11SMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |