Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14001624 | 0.89 | CYP2A6 (0.36) | HPGDKDM4EALDH1A1MEN1LMNA | |
| SCHEMBL32673059 | 0.77 | TSHR (0.37) | HPGDKDM4ETSHRAKR1B1PARP1 | |
| SCHEMBL16283615 | 0.77 | PTGS1 (0.41) | ALDH1A1MEN1MAPTKMT2ATSHR | |
| SCHEMBL834241 | 0.77 | ALDH2 (0.37) | HPGDKDM4EALDH1A1TSHRAKR1B1 | |
| SCHEMBL31040600 | 0.77 | MAOB (0.40) | KMT2ATSHRAKR1B1PARP1CES1 | |
| SCHEMBL6836824 | 0.74 | AKR1B1 (0.38) | LMNAGAATSHRAKR1B1CES1 | |
| SCHEMBL11828824 | 0.73 | HPGD (0.50) | HPGDKDM4EALDH1A1TSHRPARP1 | |
| SCHEMBL2806159 | 0.73 | PARP1 (0.44) | HPGDKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL18157927 | 0.73 | MAOA (0.41) | HPGDKDM4EALDH1A1MEN1LMNA | |
| SCHEMBL31510121 | 0.72 | TSHR (0.58) | HPGDKDM4ETSHRAKR1B1CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024561-A | Tryptanthrin derivative, preparation thereof and application thereof in preventing and treating plant virus and germ diseases | 南开大学 | 2021-06-25 | — | — | CN | claimed |
| CN-113024561-B | Tryptanthrin derivative, preparation thereof and application thereof in preventing and treating plant virus and germ diseases | 南开大学 | 2022-09-13 | — | — | CN | disclosed |
| CN-113024561-A | Tryptanthrin derivative, preparation thereof and application thereof in preventing and treating plant virus and germ diseases | 南开大学 | 2021-06-25 | — | — | CN | disclosed |