Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 8/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28078534 | 0.88 | CNR1 (0.40) | GPBAR1RORCCYP2C9PTGESTBXAS1 | |
| SCHEMBL28078423 | 0.83 | PTGS2 (0.40) | RORCKMT2AMEN1PTGS2MAPT | |
| SCHEMBL28078369 | 0.82 | RPA1 (0.39) | NOTUMKMT2AMEN1MAPTRAB9A | |
| SCHEMBL28078543 | 0.80 | KDM4E (0.45) | NOTUMKMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL28078557 | 0.79 | CMA1 (0.43) | PTGS2MAPT | |
| SCHEMBL28078528 | 0.78 | JAK1 (0.36) | GPBAR1CYP3A4CYP2C9NOTUMKMT2A | |
| SCHEMBL28032236 | 0.78 | ALDH1A1 (0.42) | NOTUMKMT2AMEN1MAPT | |
| SCHEMBL28078413 | 0.76 | KDM4E (0.37) | RORCKMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL28078520 | 0.76 | TP53 (0.36) | GPBAR1NOTUMKMT2AMEN1MAPT | |
| SCHEMBL28078548 | 0.74 | ABCB1 (0.37) | RORCCYP3A4CYP2C9KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646322-A | Perfluoroalkyl pyrrole derivative and synthesis method thereof | 上海大学 | 2016-06-08 | — | — | CN | disclosed |