Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | TPMT | P51580 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11545470 | 0.83 | CA5A (0.43) | TTRALDH1A1CA2KMT2ACA5A | |
| SCHEMBL21808116 | 0.81 | HCAR3 (0.55) | TPMTALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL29832515 | 0.81 | HCAR3 (0.55) | TPMTALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL11552739 | 0.78 | GSK3B (0.44) | ALDH1A1LMNAHPGD | |
| SCHEMBL29114266 | 0.78 | TTR (0.50) | TTRTPMTKDM4EALDH1A1CA12 | |
| SCHEMBL28386504 | 0.76 | TPMT (0.44) | TPMTKDM4EALDH1A1CA12CA1 | |
| SCHEMBL1071876 | 0.75 | TTR (0.62) | TTRTPMTKDM4EALDH1A1CA12 | |
| SCHEMBL5924082 | 0.74 | KDM4E (0.44) | TPMTKDM4EALDH1A1CA12CA1 | |
| SCHEMBL7122207 | 0.74 | TTR (0.68) | TTRTPMTKDM4EALDH1A1CA12 | |
| SCHEMBL950710 | 0.74 | AKR1C3 (0.55) | KDM4EALDH1A1KMT2ALMNAMAPT |
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-2025086591-A1 | ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 烟台药物研究所 | 2025-05-01 | — | — | WO | disclosed |
| CN-117105906-B | Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof | 烟台药物研究所 | 2024-01-30 | — | — | CN | disclosed |