Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1491767 | 0.77 | MALT1 (0.38) | SMN1; SMN2ALDH1A1MAPTHTTCYP1A2 | |
| SCHEMBL17619727 | 0.75 | CYP2A6 (0.48) | CYP2A6NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL28447697 | 0.75 | NOS3 (0.38) | DHFRHDAC4 | |
| Hydrochloric Acid SCHEMBL6192480 | 0.75 | MALT1 (0.36) | ALDH1A1MAPTHTTCYP1A2TSHR | |
| SCHEMBL28128144 | 0.75 | MALT1 (0.36) | ALDH1A1MAPTHTTCYP1A2TSHR | |
| SCHEMBL5078717 | 0.73 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL18018466 | 0.71 | HSP90AA1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| Biphenyl SCHEMBL27729747 | 0.70 | KIF11 (0.50) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28151877 | 0.70 | CYP2A6 (0.34) | CYP2A6NPC1RAB9ASMN1; SMN2CLK4 | |
| SCHEMBL20659408 | 0.69 | NTRK1 (0.34) | CYP2A6NPC1RAB9ASMN1; SMN2MAPK1 |
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-107922392-B | 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof | 豪夫迈·罗氏有限公司 | 2020-07-21 | — | — | CN | disclosed |