Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CETP | P11597 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3885499 | 0.83 | HPGD (0.50) | TACR1HPGDMEN1KMT2ASLC6A4 | |
| SCHEMBL29565828 | 0.81 | TACR1 (0.53) | TACR1EPHX1MEN1KMT2ASLC6A4 | |
| SCHEMBL6410982 | 0.80 | HDAC6 (0.56) | TACR1EPHX1MEN1KMT2AHTR2A | |
| SCHEMBL21392795 | 0.77 | TACR1 (0.52) | TACR1EPHX1MEN1KMT2ASLC6A4 | |
| SCHEMBL3882782 | 0.76 | MLYCD (0.56) | TACR1HPGDMEN1KMT2AHTR2A | |
| SCHEMBL14438325 | 0.74 | HTR2A (0.58) | EPHX1MEN1KMT2AHTR2AHTR2B | |
| SCHEMBL11282361 | 0.74 | EPHX1 (0.51) | EPHX1MEN1KMT2AHTR2AHTR2B | |
| SCHEMBL27684532 | 0.73 | HDAC6 (0.50) | EPHX1MEN1KMT2APTGESCETP | |
| SCHEMBL4243270 | 0.73 | HTR2A (0.56) | MEN1KMT2AHTR2AHTR2BHTR2C | |
| SCHEMBL7612638 | 0.73 | HTR2A (0.66) | EPHX1MEN1KMT2AHTR2AHTR2B |
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 | TACR1 21/4885HPGD 2069/4885EPHX1 2205/4885 |
“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.