Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27638986 | 0.97 | NPSR1 (0.53) | F13A1NPSR1MAPTTYRMEN1 | |
| SCHEMBL7102470 | 0.88 | NPSR1 (0.66) | NPSR1TSHRHSD17B10POLB | |
| SCHEMBL6207355 | 0.85 | F13A1 (0.53) | F13A1NPSR1LTB4RMAPTMEN1 | |
| SCHEMBL10938397 | 0.84 | TYR (0.58) | MAPTTYRMEN1TP53CYP3A4 | |
| SCHEMBL11796041 | 0.84 | TYR (0.58) | MAPTTYRMEN1TP53CYP3A4 | |
| SCHEMBL11286813 | 0.83 | F13A1 (0.56) | F13A1NPSR1LTB4RMAPTMEN1 | |
| SCHEMBL3925297 | 0.83 | F13A1 (0.56) | F13A1NPSR1LTB4RMAPTMEN1 | |
| SCHEMBL8764494 | 0.83 | TYR (0.59) | F13A1MAPTTYRMEN1TP53 | |
| SCHEMBL6582394 | 0.81 | F13A1 (0.56) | F13A1LTB4RMAPTTYRMEN1 | |
| SCHEMBL1454248 | 0.81 | TSHR (0.56) | F13A1NPSR1MEN1TSHRKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1875002-B | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE | 2011-08-03 | — | — | CN | disclosed |
| CN-1875002-A | Phenyl derivatives as PPAR agonists | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| CN-1751037-A | Sulfonamide derivatives as PPAR modulators | LILLY CO ELI (US) | 2006-03-22 | — | — | CN | disclosed |