Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HPN | P05981 | 1/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.35 |
| ▸ | GLRB | P48167 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29933377 | 0.83 | HSP90AA1 (0.56) | CA2CA1GABRA1GABRB2HSP90AA1 | |
| SCHEMBL7648280 | 0.83 | HSP90AA1 (0.56) | CA2CA1GABRA1GABRB2HSP90AA1 | |
| SCHEMBL18186665 | 0.82 | CA2 (0.39) | CA2CA1GABRA1GABRB2HSP90AA1 | |
| SCHEMBL27653934 | 0.79 | CA2 (0.45) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8489425 | 0.77 | CA2 (0.77) | CA2CA1GABRA1GABRB2CYP1A2 | |
| SCHEMBL15173818 | 0.76 | CA2 (0.59) | CA2CA1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18763612 | 0.76 | CA2 (0.61) | CA2CA1GABRA1GABRB2HSP90AA1 | |
| SCHEMBL5704406 | 0.73 | ACLY (0.40) | CA2CA1GABRA1GABRB2CYP2C19 | |
| SCHEMBL11216831 | 0.71 | PTPN5 (0.57) | CA2CA1GABRA1GABRB2HSP90AA1 | |
| SCHEMBL35141 | 0.71 | CA2 (0.67) | CA2CA1GABRA1GABRB2HSP90AA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0764878-B1 | Photothermographic elements comprising hydroxamic acid developers | IMATION CORP (US) | 2000-05-24 | — | — | EP | claimed |
| EP-0755302-A1 | BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028228-A1 | BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-10-26 | — | — | WO | disclosed |