Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.36 |
| ▸ | USP2 | O75604 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168381 | 0.86 | TACR1 (0.36) | WDR5TSHRHIF1ASMN1; SMN2CYP2D6 | |
| SCHEMBL5234199 | 0.73 | WDR5 (0.37) | WDR5CYP3A4USP2TSHRHIF1A | |
| SCHEMBL5234192 | 0.73 | WDR5 (0.37) | WDR5CYP3A4USP2TSHRHIF1A | |
| SCHEMBL5235528 | 0.66 | MAPT (0.42) | WDR5HIF1AALDH1A1P2RX7 | |
| SCHEMBL5235531 | 0.66 | MAPT (0.42) | WDR5HIF1AALDH1A1P2RX7 | |
| SCHEMBL9402489 | 0.66 | TACR1 (0.58) | WDR5TACR1 | |
| SCHEMBL5237223 | 0.64 | HDAC1 (0.39) | WDR5TACR1P2RX7 | |
| SCHEMBL5235420 | 0.64 | TACR1 (0.37) | SMN1; SMN2TACR1ALDH1A1PTGER4PTGER2 | |
| SCHEMBL5229738 | 0.64 | CNR2 (0.38) | TACR1ALDH1A1PTGER4PTGER2 | |
| SCHEMBL5235425 | 0.64 | TACR1 (0.37) | SMN1; SMN2TACR1ALDH1A1PTGER4PTGER2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | claimed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | claimed |
| EP-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| US-6452001-B2 | 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | disclosed |
| US-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | US | disclosed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | 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-20020010174-A1 | Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation | BDKRB2, NPSR1, BDKRB1 | WDR5 3581/4885CYP3A4 2258/4885USP2 3720/4885 |
“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.