Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 4/20 | 0.62 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.62 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SAT1 | P21673 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851481 | 0.88 | GNAI3 (0.56) | GNAI3GNAO1GNAI1KCNH2SAT1 | |
| SCHEMBL6250764 | 0.86 | CYP2C19 (0.55) | GNAI3GNAO1GNAI1SAT1CYP2C19 | |
| SCHEMBL15884114 | 0.86 | CYP2C19 (0.55) | GNAI3GNAO1GNAI1SAT1CYP2C19 | |
| SCHEMBL6250754 | 0.86 | CYP2C19 (0.55) | GNAI3GNAO1GNAI1SAT1CYP2C19 | |
| SCHEMBL8682833 | 0.85 | GNAI3 (0.67) | GNAI3GNAO1GNAI1KCNH2SOS1 | |
| Hydrochloric Acid SCHEMBL7563057 | 0.84 | CYP2C19 (0.52) | GNAI3GNAO1GNAI1SAT1CYP2C19 | |
| Hydrochloric Acid SCHEMBL7563067 | 0.84 | CYP2C19 (0.52) | GNAI3GNAO1GNAI1SAT1CYP2C19 | |
| SCHEMBL1070277 | 0.82 | GNAI3 (0.81) | GNAI3GNAO1GNAI1KCNH2SOS1 | |
| SCHEMBL6247785 | 0.81 | GNAI3 (0.73) | GNAI3GNAO1GNAI1KCNH2SOS1 | |
| SCHEMBL20052077 | 0.80 | CXCR4 (0.58) | SAT1CYP2C19MEN1GLAKMT2A |
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 1 patent. 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 |