Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18948482 | 0.93 | GPR84 (0.40) | ALDH1A1AHRPTGS2GPR84MMP13 | |
| SCHEMBL24241906 | 0.81 | MMP13 (0.44) | ALDH1A1MMP13TSHRMAPK1TDP1 | |
| SCHEMBL19003566 | 0.78 | NR1I2 (0.33) | ALDH1A1AHRPTGS2IDO1GPR84 | |
| SCHEMBL24919837 | 0.76 | GGPS1 (0.35) | GPR84 | |
| SCHEMBL18782394 | 0.76 | ALDH1A1 (0.52) | ALDH1A1AHRCYP1A1CYP1B1TSHR | |
| SCHEMBL8735807 | 0.75 | NOS2 (0.35) | MAPK1 | |
| SCHEMBL15418608 | 0.75 | ALDH1A1 (0.46) | ALDH1A1AHRCYP1A1CYP1B1POLB | |
| SCHEMBL26394256 | 0.74 | PDE4D (0.45) | ALDH1A1PPARGPPARAMAPK1TDP1 | |
| SCHEMBL12056790 | 0.73 | ALDH1A1 (0.44) | ALDH1A1AHRCYP1A1CYP1B1POLB | |
| SCHEMBL31545536 | 0.73 | ADRB2 (0.50) | PTGS2TSHR |
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 |