Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2383149 | 0.85 | CA12 (0.48) | TSHRKDM5AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7041350 | 0.82 | TSHR (0.55) | TSHRSLC6A3ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL7212456 | 0.79 | TSHR (0.52) | TSHRSLC6A3ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL11756627 | 0.78 | SMN1; SMN2 (0.50) | TSHRSLC6A3ALDH1A1TDP1KDM4E | |
| SCHEMBL14037057 | 0.78 | TSHR (0.53) | TSHRALDH1A1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL1200740 | 0.78 | AKR1C3 (0.55) | ALDH1A1NPSR1MAPTTDP1AKR1C3 | |
| SCHEMBL8549312 | 0.78 | TSHR (0.50) | TSHRSLC6A3ALDH1A1NPSR1CYP1A2 | |
| SCHEMBL8547750 | 0.78 | MAPT (0.59) | TSHRSLC6A3ALDH1A1MAPTKDM4E | |
| SCHEMBL27532725 | 0.77 | AKR1C3 (0.47) | TSHRALDH1A1NPSR1MAPTTDP1 | |
| SCHEMBL181067 | 0.76 | ALDH1A1 (0.55) | TSHRALDH1A1MAPTKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |