Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQLE | Q14534 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL8851126 | 0.94 | SMYD3 (0.39) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL2097596 | 0.88 | SQLE (0.36) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL8851487 | 0.85 | SMYD3 (0.36) | SMYD3HRH3 | |
| SCHEMBL7010988 | 0.84 | — | — | |
| SCHEMBL11935660 | 0.82 | SQLE (0.53) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL1579445 | 0.82 | SMYD3 (0.35) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL1579101 | 0.82 | SMYD3 (0.35) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL23967552 | 0.80 | SQLE (0.44) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL26043680 | 0.80 | ALDH1A1 (0.44) | SQLECA12F13A1CA2CYP1A2 | |
| SCHEMBL8852097 | 0.79 | GNAI3 (0.39) | GNAI3GNAO1GNAI1GRIN2BHRH4 |
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 |