Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084753 | 0.87 | HTT (0.67) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11207231 | 0.87 | HTT (0.66) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL5511217 | 0.87 | HTT (0.58) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11427652 | 0.85 | HTT (0.56) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL755913 | 0.84 | HTT (0.68) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL30729438 | 0.84 | HTT (0.68) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL3294199 | 0.81 | HTT (0.63) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL10035011 | 0.81 | ALDH1A1 (0.45) | HTTTDP1ALDH1A1CYP3A4KMT2A | |
| SCHEMBL11796767 | 0.81 | TDP1 (0.65) | HTTTDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11216634 | 0.80 | HTT (0.66) | HTTTDP1ALDH1A1CYP3A4TSHR |
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-117460709-A | Compound useful as hair dye | 新加坡国立大学 | 2024-01-26 | — | — | CN | disclosed |