Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | LIPE | Q05469 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14540714 | 0.84 | HPGD (0.51) | HPGDLIPEHSP90AA1TDP1MEN1 | |
| SCHEMBL3885499 | 0.81 | HPGD (0.50) | HPGDTDP1LMNAMEN1KMT2A | |
| SCHEMBL3890675 | 0.80 | HPGD (0.49) | HPGDTDP1LMNAMEN1KMT2A | |
| SCHEMBL11209189 | 0.76 | RAB9A (0.52) | HPGDLIPEHSP90AA1MEN1KMT2A | |
| SCHEMBL171719 | 0.74 | ALDH1A1 (0.61) | LIPEHSP90AA1KMT2AMMP13RAB9A | |
| SCHEMBL28842466 | 0.74 | RIPK1 (0.46) | HPGDTDP1LMNAMEN1KMT2A | |
| SCHEMBL19513365 | 0.73 | HSP90AA1 (0.49) | LIPEHSP90AA1KMT2AMMP13RAB9A | |
| SCHEMBL24517340 | 0.72 | HPGD (0.71) | HPGDTDP1LMNAMEN1KMT2A | |
| SCHEMBL17897166 | 0.71 | HPGD (1.00) | HPGDTDP1LMNAMEN1KMT2A | |
| SCHEMBL3878422 | 0.71 | TACR1 (0.53) | HPGDLMNAMEN1KMT2ARAB9A |
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 2069/4885LIPE 4802/4885HSP90AA1 1761/4885 |
“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.