Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | QPCT | Q16769 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9568529 | 0.87 | DHFR (0.35) | DHFRRORC | |
| SCHEMBL9543474 | 0.72 | DHFR (0.34) | DHFRSLC2A1RORC | |
| SCHEMBL27364196 | 0.68 | DHFR (0.41) | DHFRSLC2A1 | |
| SCHEMBL8854243 | 0.67 | ABCC9 (0.40) | CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL11236635 | 0.66 | TDP1 (0.44) | CYP1A2CYP3A4HPGDCYP2C19 | |
| SCHEMBL9568686 | 0.63 | MAOB (0.50) | — | |
| SCHEMBL8898310 | 0.62 | EPHX1 (0.50) | SLC2A1CYP3A4 | |
| SCHEMBL8896455 | 0.62 | SIRT2 (0.43) | — | |
| SCHEMBL13523189 | 0.61 | GAA (0.43) | CYP3A4HPGDTSHRTHRB | |
| SCHEMBL8898313 | 0.60 | SMN1; SMN2 (0.52) | CYP3A4HPGDTSHRCYP2C19PGR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993010119-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-27 | — | — | WO | disclosed |
| EP-0542497-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-19 | — | — | EP | disclosed |