Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4065532 | 0.89 | ADRA1D (0.35) | ADRA1AADRB1CYP2D6ADRA2AADRA2B | |
| SCHEMBL4068938 | 0.88 | ALDH1A1 (0.39) | SIGMAR1ADRA1AADRB1CYP2D6USP2 | |
| SCHEMBL4066706 | 0.78 | KMT2A (0.35) | ADRA1AADRB1CYP3A4ADRA2AADRA2B | |
| SCHEMBL4065540 | 0.75 | BCHE (0.36) | POLBCASP6ACACB | |
| SCHEMBL13748914 | 0.74 | ACE (0.39) | ACACB | |
| SCHEMBL4058026 | 0.74 | POLB (0.34) | POLBCASP6 | |
| SCHEMBL4063474 | 0.71 | ACACB (0.36) | ACACBTSHR | |
| SCHEMBL13749158 | 0.70 | ACE (0.39) | ACACB | |
| SCHEMBL4062857 | 0.68 | ACE (0.40) | — | |
| SCHEMBL13749054 | 0.67 | AAK1 (0.35) | SLC6A2SLC6A4SLC6A3TAAR1ACACB |
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 | SIGMAR1 1003/4885ADRA1A 720/4885ADRB1 579/4885 |
| US-20050153439-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | DRD3, SLC6A3, DRD2 | SIGMAR1 1003/4885ADRA1A 720/4885ADRB1 579/4885 |
“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.