Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20060472 | 0.85 | PTGER3 (0.42) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL20060484 | 0.85 | LDHA (0.41) | MTNR1AMTNR1BLDHAALDH1A1ALOX15 | |
| SCHEMBL20060471 | 0.84 | LDHA (0.41) | MTNR1AMTNR1BLDHAALDH1A1CYP2D6 | |
| SCHEMBL15624586 | 0.82 | FOS (0.55) | ALDH1A1ALOX15ALOX12 | |
| SCHEMBL20060485 | 0.82 | MTNR1A (0.40) | MTNR1AMTNR1BLDHAALDH1A1ALOX15 | |
| SCHEMBL9650269 | 0.78 | CYP4F2 (0.43) | ALDH1A1RENSMN1; SMN2 | |
| SCHEMBL4852890 | 0.78 | APP (0.44) | MTNR1AMTNR1BALDH1A1APPMEN1 | |
| SCHEMBL15624592 | 0.76 | LDHA (0.50) | LDHAALDH1A1APPALOX15ALOX12 | |
| SCHEMBL13748638 | 0.75 | ALOX15 (0.49) | ALDH1A1CYP2D6CYP2C19ALOX15ALOX12 | |
| SCHEMBL20705409 | 0.72 | ACACB (0.41) | AAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1701949-B1 | ASSAY FOR ENTACTOGENS | SIEMENS HEALTHCARE DIAGNOSTICS INC (US) | 2018-04-18 | — | — | EP | disclosed |