Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | RGS12 | O14924 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13464073 | 0.79 | OPRK1 (0.49) | LMNAHTR2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1421212 | 0.79 | OPRK1 (0.45) | LMNAHTR2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12797626 | 0.79 | OPRK1 (0.45) | LMNAHTR2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9781369 | 0.78 | HTT (0.51) | LMNAHTTHTR2ACYP3A4CYP2D6 | |
| SCHEMBL11208739 | 0.77 | BCHE (0.50) | LMNACYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11009639 | 0.76 | LMNA (0.50) | LMNAHTTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15870513 | 0.76 | OPRK1 (0.50) | LMNAHTTHTR2ACYP3A4CYP2D6 | |
| SCHEMBL21446955 | 0.76 | OPRK1 (0.50) | LMNAHTTHTR2ACYP3A4CYP2D6 | |
| SCHEMBL19290647 | 0.74 | OPRK1 (0.45) | LMNAHTTHTR2ACYP3A4CYP2D6 | |
| SCHEMBL6577111 | 0.72 | OPRK1 (0.44) | LMNAHTR2ACYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0118093-A1 | Trichloroacryloyl urea derivatives, process for their preparation and their use as fungicides in agriculture and horticulture | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1984-09-12 | — | — | EP | disclosed |
| US-4444771-A | Azeto triazolo pyrazine β-lactam antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1984-04-24 | — | — | US | disclosed |