Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUSB | P08236 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | NAT1 | P18440 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1421442 | 0.81 | TDP1 (0.68) | ALDH1A1TDP1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL1014744 | 0.81 | TDP1 (0.67) | ALDH1A1TDP1KMT2AGAAMAPT | |
| SCHEMBL28470699 | 0.81 | TDP1 (0.67) | ALDH1A1TDP1KMT2AGAAMAPT | |
| SCHEMBL62941 | 0.81 | ALDH1A1 (0.58) | GUSBALDH1A1TDP1KMT2AGAA | |
| SCHEMBL12157332 | 0.80 | ESR2 (0.47) | ALDH1A1TDP1KMT2ACYP3A4GAA | |
| SCHEMBL9701173 | 0.80 | DHFR (0.62) | GUSBALDH1A1GAAMAPTHTT | |
| Nitrous Acid SCHEMBL1979274 | 0.77 | ALDH1A1 (0.50) | GUSBALDH1A1TDP1KMT2AMAPT | |
| SCHEMBL14164074 | 0.74 | DHFR (0.71) | GUSBALDH1A1MAPTDHFRCA12 | |
| Alanine SCHEMBL891875 | 0.72 | ALDH1A1 (0.48) | GUSBALDH1A1TDP1KMT2AGAA | |
| SCHEMBL14164075 | 0.70 | ALDH1A1 (0.71) | GUSBALDH1A1KMT2AGAAMAPT |
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-115504918-A | Gallic acid derivative containing thiosemicarbazide phenol acyl group, and synthesis method and application thereof | 江苏海洋大学 | 2022-12-23 | — | — | CN | disclosed |