Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.35 |
| ▸ | MMP13 | P45452 | 4/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.35 |
| ▸ | MMP1 | P03956 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19003685 | 0.93 | ALDH1A1 (0.41) | GPR84PTGS2ALDH1A1AHRHTR2A | |
| SCHEMBL24919837 | 0.83 | GGPS1 (0.35) | GPR84SLC2A1 | |
| SCHEMBL20802184 | 0.81 | GPR84 (0.41) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL9079558 | 0.81 | GPR84 (0.41) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL5041106 | 0.79 | SLC2A1 (0.54) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL7470616 | 0.79 | GPR84 (0.40) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL24261194 | 0.79 | GGPS1 (0.36) | GPR84SLC2A1HTR2AMMP9MMP13 | |
| SCHEMBL3217271 | 0.79 | SLC2A1 (0.49) | ALDH1A1SLC2A1NR1I2MMP9MMP13 | |
| SCHEMBL11832526 | 0.78 | GPR84 (0.39) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL18511928 | 0.76 | SLC2A1 (0.41) | ALDH1A1SLC2A1NR1I2MMP9MMP13 |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |