Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 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 | |
|---|---|---|---|---|
| SCHEMBL1665864 | 0.87 | THRB (0.48) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL28100241 | 0.79 | DPP4 (0.40) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL27875807 | 0.78 | CYP1A2 (0.48) | THRBALDH1A1ALOX15HPGDTDP1 | |
| SCHEMBL8904804 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E | |
| SCHEMBL1667194 | 0.76 | THRB (0.39) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL10883365 | 0.76 | THRB (0.56) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL27948003 | 0.74 | THRB (0.38) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL4075879 | 0.74 | CYP1A2 (0.44) | THRBALDH1A1ALOX15KDM4ETSHR | |
| SCHEMBL27947379 | 0.74 | THRB (0.38) | THRBALDH1A1ALOX15HPGDCYP3A4 | |
| SCHEMBL28271277 | 0.74 | SMN1; SMN2 (0.38) | THRBALDH1A1HPGDCYP3A4MEN1 |
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-112574172-B | Gallic acid hydrogen sulfide derivative, preparation method and medical application thereof | 杭州海醍思医疗科技有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-112574172-A | Gallic acid hydrogen sulfide derivative, preparation method and medical application thereof | 杭州海醍思医疗科技有限公司 | 2021-03-30 | — | — | CN | disclosed |