Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.35 |
| ▸ | BCHE | P06276 | 4/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 10/20 | 0.32 |
| ▸ | PPARA | Q07869 | 7/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068940 | 0.90 | NFKB1 (0.33) | NFKB1NFKB2RELACTSBCTSS | |
| SCHEMBL4065537 | 0.89 | ACHE (0.39) | ACHEBCHECTSBCTSSCTSK | |
| SCHEMBL4063479 | 0.83 | CTSS (0.43) | CTSBCTSSCTSK | |
| SCHEMBL4058035 | 0.80 | CTSS (0.36) | CTSBCTSSCTSKPPARGPPARA | |
| SCHEMBL4066701 | 0.79 | CYP4F2 (0.35) | ACHEBCHENFKB1NFKB2RELA | |
| SCHEMBL13210973 | 0.71 | ACHE (0.45) | ACHEBCHECTSBCTSSCTSK | |
| SCHEMBL12050814 | 0.70 | BCHE (0.53) | ACHEBCHECTSBCTSSCTSK | |
| SCHEMBL4068936 | 0.69 | CYP4F2 (0.34) | NFKB1NFKB2RELA | |
| SCHEMBL13748626 | 0.69 | CYP4F2 (0.34) | NFKB1NFKB2RELA | |
| SCHEMBL4065540 | 0.68 | BCHE (0.36) | ACHEBCHESLC7A5 |
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-7569676-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2009-08-04 | — | — | US | disclosed |
| EP-1498415-B1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS GMBH (DE) | 2007-06-27 | — | — | EP | disclosed |
| US-7060847-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| US-20050153439-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | GHOSHAL MITALI (US) | 2005-07-14 | — | — | US | disclosed |
| US-20050014210-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS CORPORATION | 2005-01-20 | — | — | US | disclosed |
| EP-1498415-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | Roche Diagnostics GmbH (DE) | 2005-01-19 | — | — | EP | 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 (2 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-20050014210-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | DRD3, SLC6A3, DRD2 | ACHE 130/4885BCHE 163/4885NFKB1 4552/4885 |
| US-20050153439-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | DRD3, SLC6A3, DRD2 | ACHE 130/4885BCHE 163/4885NFKB1 4552/4885 |
“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.