Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3879474 | 0.80 | HPGD (0.55) | HPGDLMNAMMP13TDP1MEN1 | |
| SCHEMBL3885499 | 0.78 | HPGD (0.50) | HPGDLMNAHRH3TDP1MEN1 | |
| SCHEMBL24316291 | 0.77 | HPGD (0.50) | HPGDLMNAMMP13TDP1CYP2C9 | |
| SCHEMBL3892129 | 0.77 | RAB9A (0.50) | ABHD6ROCK2ROCK1KMT2APPID | |
| SCHEMBL13947891 | 0.72 | HPGD (0.45) | HPGDLMNAMMP13TDP1CYP2C9 | |
| SCHEMBL27619110 | 0.70 | HRH3 (0.74) | LMNAHRH3ROCK2MAPTCYP3A4 | |
| SCHEMBL17887964 | 0.70 | MAPT (0.47) | HPGDLMNATDP1MAPTCYP1A2 | |
| SCHEMBL19210473 | 0.69 | MMP13 (0.53) | HPGDLMNAROCK2MMP13ROCK1 | |
| SCHEMBL28842466 | 0.69 | RIPK1 (0.46) | HPGDLMNATDP1MEN1KMT2A | |
| SCHEMBL9347698 | 0.68 | RAB9A (0.50) | MMP13KMT2ATSHRHSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | 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-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | DRD3, KCND3, GRIN3A | HPGD 2069/4885LMNA 4076/4885ABHD6 4317/4885 |
“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.