Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| SCHEMBL29546867 | 0.94 | TRPA1 (0.41) | TRPA1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL1398081 | 0.94 | TRPA1 (0.41) | TRPA1NPC1HPGDRAB9ASMN1; SMN2 | |
| Water SCHEMBL28834494 | 0.92 | TRPA1 (0.39) | TRPA1NPC1HPGDRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30528593 | 0.92 | NPC1 (0.43) | TRPA1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL30843932 | 0.78 | — | — | |
| SCHEMBL11034734 | 0.73 | TRPA1 (0.38) | TRPA1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7977488 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL30874783 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL16479002 | 0.68 | CA12 (0.36) | PARP1PNMTCD44MAOBCA12 | |
| SCHEMBL3427220 | 0.68 | CHRNB2 (0.42) | HTR2CPDE3BPDE3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104865796-B | Colored curable resin composition | 东友精细化工有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-110272392-A | Transition metal catalyzed C-H coupling for efficiently preparing 2- (4(3H) -quinazolinone) aryl alkyl acetate derivative | 四川大学 | 2019-09-24 | — | — | CN | disclosed |