Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11172546 | 0.91 | RAB9A (0.56) | RAB9ANPC1KMT2AALDH1A1HTT | |
| SCHEMBL19002583 | 0.79 | RAB9A (0.58) | RAB9ANPC1KMT2AALDH1A1HTT | |
| SCHEMBL1690816 | 0.77 | NPC1 (0.82) | RAB9ANPC1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL9347698 | 0.77 | RAB9A (0.50) | RAB9ANPC1KMT2AALDH1A1HTT | |
| SCHEMBL3880049 | 0.77 | RAB9A (0.51) | RAB9ANPC1KMT2AALDH1A1HTT | |
| SCHEMBL3890675 | 0.77 | HPGD (0.49) | KMT2AABHD6SMN1; SMN2PPIDROCK2 | |
| SCHEMBL17168333 | 0.76 | NPC1 (0.63) | RAB9ANPC1KMT2ALTB4R2AOC3 | |
| SCHEMBL14753662 | 0.76 | RIPK1 (0.66) | RAB9ANPC1KMT2AALDH1A1 | |
| SCHEMBL11485292 | 0.75 | NPY5R (0.42) | RAB9ANPC1KMT2AALDH1A1LTB4R2 | |
| SCHEMBL19002580 | 0.75 | ALDH1A1 (0.69) | RAB9ANPC1KMT2AALDH1A1HTT |
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 | RAB9A 337/4885NPC1 845/4885KMT2A 1285/4885 |
“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.