Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 4/20 | 0.45 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.45 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GLI1 | P08151 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851706 | 0.90 | GNAI3 (0.50) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL16741511 | 0.87 | ALDH1A1 (0.40) | ALDH1A1DPP7KDM4E | |
| SCHEMBL8851419 | 0.83 | GNAI3 (0.46) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL8851752 | 0.82 | EPHX1 (0.44) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL8851100 | 0.81 | GNAI3 (0.47) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL13401904 | 0.80 | GNAI3 (0.49) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL8851151 | 0.79 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL19485629 | 0.77 | GNAI3 (0.46) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL8851295 | 0.74 | GNAI3 (0.51) | GNAI3GNAO1GNAI1EPHX1POLB | |
| SCHEMBL7470707 | 0.73 | ITGB3 (0.41) | GNAI3GNAO1GNAI1ALDH1A1ALOX15 |
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 |