Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4965566 | 1.00 | CYP1A2 (0.38) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL10702869 | 1.00 | CYP1A2 (0.38) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL101808 | 0.98 | CYP1A2 (0.39) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL2772093 | 0.78 | CYP1A2 (0.33) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL11117626 | 0.74 | CYP2C19 (0.37) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL10616734 | 0.74 | PTPN2 (0.34) | — | |
| SCHEMBL10616731 | 0.74 | PTPN2 (0.34) | — | |
| SCHEMBL1069247 | 0.74 | CYP1A2 (0.36) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL2162852 | 0.74 | HCAR2 (0.33) | CYP1A2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL22734220 | 0.74 | HCAR2 (0.47) | ALDH1A1 |
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-20070249589-A1 | Novel diazepan derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-10-25 | — | — | 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-20070249589-A1 | Novel diazepan derivatives | CCR3, CCR1, CCR10 | CYP1A2 953/4885TSHR 571/4885TP53 4853/4885 |
“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.