Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457686 | 1.00 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL222435 | 0.85 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29825539 | 0.85 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17823303 | 0.83 | MEN1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29538723 | 0.83 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1020510 | 0.83 | ACHE (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11415006 | 0.83 | APLNR (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL374346 | 0.83 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6117909 | 0.81 | APLNR (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6113969 | 0.81 | APLNR (0.40) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025106383-A1 | PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS | MERCK SHARP & DOHME LLC (US) | 2025-05-22 | — | — | WO | disclosed |
| CN-118873522-A | Application of isothiocyanate compound | 无锡杰西医药股份有限公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-113262218-B | Use of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2024-06-18 | — | — | CN | disclosed |