Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851164 | 0.96 | GNAI3 (0.35) | GNAI3GNAO1GNAI1SIGMAR1EPHX1 | |
| SCHEMBL8851872 | 0.87 | CARM1 (0.33) | — | |
| SCHEMBL9432411 | 0.83 | GNAI3 (0.56) | GNAI3GNAO1GNAI1EPHX1ALDH1A1 | |
| SCHEMBL8111938 | 0.82 | GNAI3 (0.59) | GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL7966483 | 0.81 | GNAI3 (0.48) | GNAI3GNAO1GNAI1SIGMAR1GRIN2B | |
| SCHEMBL25963986 | 0.80 | SIGMAR1 (0.47) | GNAI3GNAO1GNAI1SIGMAR1EPHX1 | |
| SCHEMBL27461328 | 0.80 | SIGMAR1 (0.52) | GNAI3GNAO1GNAI1SIGMAR1HRH4 | |
| SCHEMBL8851635 | 0.80 | CYP2C19 (0.43) | GNAI3GNAO1GNAI1GRIN2BCXCR4 | |
| SCHEMBL7013588 | 0.80 | — | — | |
| SCHEMBL8852252 | 0.79 | SQLE (0.41) | GNAI3GNAO1GNAI1SIGMAR1GRIN2B |
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 |