Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | SLC26A3 | P40879 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28719517 | 0.79 | NQO1 (0.55) | CA12CA9POLBTP53NQO1 | |
| SCHEMBL29395038 | 0.75 | GPR35 (0.47) | PTGDR2POLBTP53DUSP3PTPN5 | |
| SCHEMBL5085076 | 0.73 | TP53 (0.51) | PTGDR2CA12CA9POLBTP53 | |
| SCHEMBL2522181 | 0.72 | TP53 (0.50) | PTGDR2CA12CA9POLBTP53 | |
| SCHEMBL28351931 | 0.72 | ELANE (0.46) | POLBNQO1GLAKDM4EMAPT | |
| SCHEMBL9367069 | 0.70 | TDP1 (0.56) | GLASTING1KDM4EAKR1B1MAPT | |
| SCHEMBL7140586 | 0.70 | MAOA (0.57) | GLASTING1KDM4EAKR1B1MAPT | |
| SCHEMBL307859 | 0.70 | CA12 (0.60) | CA12CA9POLBTP53NQO1 | |
| SCHEMBL1873283 | 0.69 | AKR1B1 (0.60) | POLBDUSP3PTPN5PTPN11CTDSP1 | |
| Benzene SCHEMBL1146112 | 0.69 | AKR1B1 (0.60) | POLBDUSP3PTPN5PTPN11CTDSP1 |
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-2023067366-A1 | PHOTOACTIVATABLE ION CHANNEL MODULATOR | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2023-04-27 | — | — | WO | disclosed |
| WO-2023067491-A1 | PHOTOACTIVATABLE ION CHANNEL MODULATOR | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2023-04-27 | — | — | WO | disclosed |