Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7929733 | 0.85 | NR1I2 (0.39) | NR1I2TDP1ALDH1A1MAPK1DRD2 | |
| SCHEMBL19003685 | 0.78 | ALDH1A1 (0.41) | PTGS2TDP1IDO1AHRALDH1A1 | |
| SCHEMBL21282801 | 0.78 | TP53 (0.39) | NR1I2DRD2HTR7HTR6 | |
| SCHEMBL7853830 | 0.78 | OPRM1 (0.39) | NR1I2 | |
| SCHEMBL18937394 | 0.76 | AOC3 (0.44) | — | |
| SCHEMBL18948438 | 0.76 | ABCB11 (0.36) | AHRALDH1A1 | |
| SCHEMBL21135648 | 0.75 | ALDH1A1 (0.40) | AHRALDH1A1KMT2A | |
| SCHEMBL19003530 | 0.74 | NR1I2 (0.36) | NR1I2 | |
| SCHEMBL7835263 | 0.74 | OPRM1 (0.34) | ALDH1A1DRD2HTR7HTR6 | |
| SCHEMBL21164276 | 0.74 | TSHR (0.35) | NR1I2KMT2A |
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 |