Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.47 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 7/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851858 | 0.93 | PTK2 (0.46) | KDM4ELMNAHPGDSMN1; SMN2AURKA | |
| SCHEMBL8852169 | 0.84 | KDM4E (0.49) | HTTKMT2AKDM4EMAPTLMNA | |
| SCHEMBL8851850 | 0.84 | ADK (0.36) | HTTKMT2AKDM4EMAPTLMNA | |
| SCHEMBL7960352 | 0.84 | GRIN2D (0.50) | HTTKMT2AKDM4EMAPTLMNA | |
| SCHEMBL7938993 | 0.84 | KDM4E (0.49) | KMT2AKDM4EMAPTMEN1HPGD | |
| SCHEMBL8851865 | 0.83 | MAPK1 (0.44) | KMT2AKDM4EMAPTLMNAMEN1 | |
| SCHEMBL8851920 | 0.83 | MAPK1 (0.37) | HTTKMT2AKDM4EMAPTLMNA | |
| SCHEMBL8851569 | 0.82 | SMN1; SMN2 (0.51) | HTTKMT2AMAPTLMNANPSR1 | |
| SCHEMBL8851853 | 0.80 | PTK2 (0.45) | KDM4ELMNAHPGDSMN1; SMN2AURKA | |
| SCHEMBL8851567 | 0.79 | AURKA (0.39) | KMT2AKDM4ELMNAMEN1AURKA |
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 |