Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068938 | 0.90 | ALDH1A1 (0.39) | KMT2ACYP4F2CYP4A11ADRB2ADRB1 | |
| SCHEMBL4065532 | 0.88 | ADRA1D (0.35) | ADRB2ADRB1ADRB3ADRA1DADRA1A | |
| SCHEMBL4063474 | 0.86 | ACACB (0.36) | CYP4F2CYP4A11PPARG | |
| SCHEMBL4066701 | 0.79 | CYP4F2 (0.35) | KMT2ACYP4F2CYP4A11ADORA2AADORA1 | |
| SCHEMBL14491744 | 0.79 | SYK (0.41) | CYP4F2CYP4A11ALDH1A1PPARG | |
| SCHEMBL4068936 | 0.78 | CYP4F2 (0.34) | CYP4F2CYP4A11ADORA2AADORA1ALDH1A1 | |
| SCHEMBL4058031 | 0.78 | SIGMAR1 (0.38) | ADRB2ADRB1ADRB3ALDH1A1KDM4E | |
| SCHEMBL13748626 | 0.76 | CYP4F2 (0.34) | CYP4F2CYP4A11ADORA2AADORA1ALDH1A1 | |
| SCHEMBL13748914 | 0.72 | ACE (0.39) | PPARG | |
| SCHEMBL10593205 | 0.72 | RXRA (0.40) | KMT2AADRB2ADRB1ADRB3ALDH1A1 |
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 | KMT2A 1360/4885CYP4F2 1421/4885CYP4A11 1014/4885 |
| US-20050153439-A1 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | DRD3, SLC6A3, DRD2 | KMT2A 1360/4885CYP4F2 1421/4885CYP4A11 1014/4885 |
“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.