Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 3/20 | 0.37 |
| ▸ | MMP7 | P09237 | 3/20 | 0.37 |
| ▸ | MMP12 | P39900 | 3/20 | 0.37 |
| ▸ | MMP13 | P45452 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17411246 | 0.92 | NR1I2 (0.43) | GRM2DRD2ALDH1A1GAANR1I2 | |
| SCHEMBL17367964 | 0.90 | DRD2 (0.42) | GRM2DRD2ALDH1A1GAACYP3A4 | |
| SCHEMBL20372757 | 0.84 | CCR5 (0.41) | GRM2DRD2ALDH1A1GAANR1I2 | |
| SCHEMBL20032397 | 0.83 | CCR5 (0.45) | DRD2ALDH1A1GAACYP3A4CYP2D6 | |
| SCHEMBL24080203 | 0.83 | GRM2 (0.43) | GRM2DRD2ALDH1A1GAANR1I2 | |
| SCHEMBL9136726 | 0.82 | NR1I2 (0.46) | ALDH1A1NR1I2MMP1MMP7MMP12 | |
| SCHEMBL18948449 | 0.80 | SMN1; SMN2 (0.46) | DRD2ALDH1A1GAACYP3A4CYP2D6 | |
| SCHEMBL17411225 | 0.78 | NR1I2 (0.42) | NR1I2MMP13 | |
| SCHEMBL17367927 | 0.78 | KCNA5 (0.40) | DRD2ALDH1A1GAACYP3A4CYP2D6 | |
| SCHEMBL10180313 | 0.76 | HDAC4 (0.53) | DRD2ALDH1A1GAACYP3A4CYP2D6 |
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-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |