Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.64 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.46 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1280631 | 0.94 | CYP3A4 (0.63) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1279771 | 0.94 | CYP3A4 (0.62) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1279696 | 0.92 | HSP90AA1 (0.65) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1279370 | 0.88 | CYP3A4 (0.61) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1280452 | 0.88 | CYP3A4 (0.49) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL9363260 | 0.87 | HSP90AA1 (0.84) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1280044 | 0.86 | HSP90AA1 (0.55) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1279477 | 0.84 | HSP90AA1 (0.68) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL1280022 | 0.84 | HSP90AA1 (0.63) | CYP3A4HSP90AA1NPSR1THRBLMNA | |
| SCHEMBL9458123 | 0.84 | CYP3A4 (0.67) | CYP3A4HSP90AA1NPSR1THRBLMNA |
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-2443109-A1 | TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| US-20120088663-A1 | Triazole Compounds Carrying a Sulfur Substituent | BASF SE (DE) | 2012-04-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120088663-A1 | Triazole Compounds Carrying a Sulfur Substituent | TST, STS, SQOR | CYP3A4 39/4885HSP90AA1 3133/4885NPSR1 3019/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.