Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851191 | 0.87 | EPHX1 (0.42) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL8851100 | 0.84 | GNAI3 (0.47) | EPHX1SIGMAR1GNAI3GNAO1GNAI1 | |
| SCHEMBL8851143 | 0.81 | ALDH1A1 (0.36) | SIGMAR1ALDH1A1POLBHPGDMETAP1 | |
| SCHEMBL8851752 | 0.80 | EPHX1 (0.44) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL13406333 | 0.73 | GAA (0.42) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL12226497 | 0.73 | EPHX1 (0.48) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL1704922 | 0.71 | EPHX1 (0.50) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL8851419 | 0.71 | GNAI3 (0.46) | EPHX1GNAI3GNAO1GNAI1KCNH2 | |
| SCHEMBL17284631 | 0.70 | EPHX1 (0.45) | EPHX1GNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL2545486 | 0.70 | TSHR (0.43) | SIGMAR1GNAI3GNAO1GNAI1KCNH2 |
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 |