Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.47 |
| ▸ | HTR3A | P46098 | 4/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL576094 | 0.92 | ACHE (0.53) | ARHTR1AHTR3AHAO1TSHR | |
| SCHEMBL15906499 | 0.89 | HTR1A (0.50) | ARHTR1AHTR3AHAO1TSHR | |
| Phosphine SCHEMBL29157942 | 0.89 | HTR1A (0.50) | ARHTR1AHTR3AHAO1TSHR | |
| Hydrogen Sulfide SCHEMBL11580912 | 0.89 | HTR1A (0.50) | ARHTR1AHTR3AHAO1TSHR | |
| SCHEMBL29031117 | 0.89 | HTR1A (0.55) | ARHTR1AHTR3AHAO1TSHR | |
| SCHEMBL9488937 | 0.80 | HTR1A (0.53) | ARHTR1AHTR3AHAO1TSHR | |
| Bicarbonate SCHEMBL31082134 | 0.80 | L3MBTL1 (0.45) | ARHTR1AHTR3AHAO1TSHR | |
| SCHEMBL9488226 | 0.79 | HAO1 (0.47) | ARHTR1AHTR3AHAO1TSHR | |
| SCHEMBL3859717 | 0.78 | CYP3A4 (0.52) | ARHTR1AHTR3AHAO1ALDH1A1 | |
| SCHEMBL17301730 | 0.78 | L3MBTL1 (0.47) | ARHTR1AHTR3AHAO1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000033836-A9 | 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS | ONTOGEN CORP (US) | 2001-10-04 | — | — | WO | disclosed |
| WO-2000033836-A1 | 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS | ONTOGEN CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |