Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28289707 | 1.00 | TRPA1 (0.54) | TRPA1RAB9APPARGNFE2L2KMT2A | |
| SCHEMBL28643001 | 0.84 | CYP1A2 (0.47) | APPCYP1A2 | |
| SCHEMBL28646802 | 0.76 | ALDH1A1 (0.49) | PPARGNFE2L2KMT2AMEN1ALDH1A1 | |
| SCHEMBL8023488 | 0.76 | TRPA1 (0.59) | TRPA1PPARGNFE2L2KMT2ACYP1B1 | |
| SCHEMBL8023490 | 0.76 | TRPA1 (0.59) | TRPA1PPARGNFE2L2KMT2ACYP1B1 | |
| SCHEMBL31453513 | 0.76 | TRPA1 (0.63) | TRPA1RAB9APPARGNFE2L2KMT2A | |
| SCHEMBL28811444 | 0.75 | APP (0.50) | RAB9AKMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL7579606 | 0.75 | TRPA1 (0.45) | TRPA1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7579599 | 0.75 | TRPA1 (0.45) | TRPA1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL702843 | 0.74 | LTA4H (0.55) | RAB9AALDH1A1MAPTAPPCYP1A2 |
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-109704926-B | Anticancer active molecular skeleton 1, 4-eneyne compound and preparation method and application thereof | 南京工业大学 | 2022-02-08 | — | — | CN | disclosed |
| CN-109704926-A | Anticancer active molecular skeleton 1, 4-eneyne compound and preparation method and application thereof | 南京工业大学 | 2019-05-03 | — | — | CN | disclosed |