Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 5/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 5/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851419 | 0.88 | GNAI3 (0.46) | GNAI3GNAO1GNAI1EPHX1KCNH2 | |
| SCHEMBL8851155 | 0.84 | EPHX1 (0.43) | GNAI3GNAO1GNAI1EPHX1SIGMAR1 | |
| SCHEMBL8850964 | 0.82 | ALDH1A1 (0.41) | SIGMAR1ALDH1A1HPGDVCP | |
| SCHEMBL8851163 | 0.81 | GNAI3 (0.45) | GNAI3GNAO1GNAI1EPHX1ALDH1A1 | |
| SCHEMBL8851295 | 0.79 | GNAI3 (0.51) | GNAI3GNAO1GNAI1EPHX1KCNH2 | |
| SCHEMBL13401904 | 0.75 | GNAI3 (0.49) | GNAI3GNAO1GNAI1EPHX1ALDH1A1 | |
| SCHEMBL8851562 | 0.74 | SIGMAR1 (0.42) | GNAI3GNAO1GNAI1SIGMAR1ALDH1A1 | |
| SCHEMBL8851241 | 0.74 | SIGMAR1 (0.42) | GNAI3GNAO1GNAI1SIGMAR1ALDH1A1 | |
| SCHEMBL8851362 | 0.74 | GNAI3 (0.56) | GNAI3GNAO1GNAI1EPHX1KCNH2 | |
| SCHEMBL8851103 | 0.74 | ALDH1A1 (0.39) | GNAI3GNAO1GNAI1SIGMAR1ALDH1A1 |
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 |