Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28596706 | 1.00 | GSTP1 (0.47) | GSTP1ADORA2AADORA1HSD17B1HSD17B2 | |
| SCHEMBL2452660 | 0.84 | GSTP1 (0.40) | GSTP1ADORA2AADORA1HSD17B1HSD17B2 | |
| SCHEMBL27629739 | 0.83 | ALDH1A1 (0.41) | CYP1A2MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6880077 | 0.83 | ALDH1A1 (0.41) | CYP1A2MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL445102 | 0.83 | ALDH1A1 (0.41) | CYP1A2MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL618853 | 0.83 | BACE1 (0.39) | HDAC4HDAC2HDAC8ALDH1A1HSD17B10 | |
| SCHEMBL10492397 | 0.81 | GSTP1 (0.61) | GSTP1ADORA2AADORA1HSD17B1HSD17B2 | |
| SCHEMBL6966765 | 0.80 | MAOA (0.38) | HDAC4HDAC2HDAC8MEN1ALDH1A1 | |
| SCHEMBL15987625 | 0.79 | GSTP1 (0.47) | GSTP1ADORA2AADORA1HSD17B1HSD17B2 | |
| SCHEMBL6474583 | 0.79 | BACE1 (0.36) | HDAC4HDAC2HDAC8ALDH1A1HSD17B10 |
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-109311844-B | Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component | 东曹株式会社 | 2021-07-20 | — | — | CN | disclosed |