Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17907949 | 0.87 | GABRA1 (0.35) | MAPK1LMNAL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL17907954 | 0.87 | NR1H2 (0.36) | NR1H2MAPK1SIGMAR1THRBKDM4E | |
| SCHEMBL17907981 | 0.86 | KDM4E (0.39) | NR1H2POLBL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL3542987 | 0.85 | NOTUM (0.40) | NR1H2MAPK1SIGMAR1MEN1KMT2A | |
| SCHEMBL17907922 | 0.83 | KCNQ3 (0.38) | GPR119 | |
| SCHEMBL13279458 | 0.80 | CCR9 (0.34) | NR1H2MAPK1LMNATP53L3MBTL1 | |
| SCHEMBL17907950 | 0.80 | MAPK1 (0.33) | NR1H2MAPK1 | |
| SCHEMBL17907968 | 0.78 | HDAC1 (0.34) | NR1H2MAPK1GPR119 | |
| SCHEMBL1770176 | 0.74 | KDM4E (0.34) | MAPK1GPR119POLBKDM4EALDH1A1 | |
| SCHEMBL26913025 | 0.68 | — | — |
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-2697223-B1 | 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-07-13 | — | — | EP | disclosed |