Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 4/20 | 0.47 |
| ▸ | RXRG | P48443 | 4/20 | 0.47 |
| ▸ | RXRB | P28702 | 3/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9813753 | 0.81 | HDAC1 (0.64) | HDAC1HDAC8HPGDFFAR1LMNA | |
| SCHEMBL9813824 | 0.81 | HDAC1 (0.48) | HDAC1HDAC8CYP2C19HPGDCYP3A4 | |
| SCHEMBL9813790 | 0.77 | HDAC1 (0.47) | POLBHDAC1HDAC8HPGDFFAR1 | |
| SCHEMBL10583477 | 0.77 | ALDH1A1 (0.50) | POLBHDAC1HDAC8HPGDFFAR1 | |
| SCHEMBL10581074 | 0.77 | HDAC1 (0.58) | HDAC1HDAC8HPGDFFAR1LMNA | |
| SCHEMBL6456959 | 0.77 | RECQL (0.59) | POLBHDAC8CYP2C19CYP2C9HPGD | |
| SCHEMBL9813464 | 0.75 | PTGES (0.53) | HDAC1HDAC8HPGD | |
| SCHEMBL17074466 | 0.75 | ALDH1A1 (0.48) | POLBCYP2C19CYP2C9HPGDLMNA | |
| SCHEMBL10580163 | 0.74 | TBXAS1 (0.54) | HDAC1HDAC8 | |
| SCHEMBL10462187 | 0.74 | ALDH1A1 (0.54) | HDAC8FFAR1TRPV1CA1CA2 |
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-0301421-B1 | SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES | Roche Diagnostics GmbH (DE) | 1991-08-28 | — | — | EP | claimed |
| EP-0301421-B1 | SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES | Roche Diagnostics GmbH (DE) | 1991-08-28 | — | — | EP | disclosed |
| EP-0301421-A2 | Sulfur compounds, process for their preparation and medicines | Roche Diagnostics GmbH (DE) | 1989-02-01 | — | — | EP | disclosed |