Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 3/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 2/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25413517 | 0.88 | APEX1 (0.58) | CA1CA2CA9APEX1MEN1 | |
| SCHEMBL7393267 | 0.88 | CA1 (0.49) | CA1CA2CA9APEX1F2 | |
| SCHEMBL7394073 | 0.86 | CA1 (0.47) | CA1CA2CA9APEX1F2 | |
| SCHEMBL1813055 | 0.85 | CA1 (0.57) | CA1CA2CA9APEX1F2 | |
| SCHEMBL9097798 | 0.83 | CA1 (0.55) | CA1CA2CA9APEX1F2 | |
| SCHEMBL7886519 | 0.81 | CA1 (0.53) | CA1CA2CA9APEX1F2 | |
| SCHEMBL10908053 | 0.81 | CA1 (0.53) | CA1CA2CA9APEX1F2 | |
| SCHEMBL10908050 | 0.81 | CA1 (0.53) | CA1CA2CA9APEX1F2 | |
| SCHEMBL2703626 | 0.81 | CA1 (0.53) | CA1CA2CA9APEX1F2 | |
| SCHEMBL9097803 | 0.81 | CA1 (0.53) | CA1CA2CA9APEX1F2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117157277-A | 1, 6-naphthalene dithiol and process for producing the same | 菅井化学工业株式会社 | 2023-12-01 | — | — | CN | disclosed |