Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KLK7 | P49862 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23278523 | 0.73 | MAPT (0.36) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL10383073 | 0.72 | KDM4E (0.55) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL12240274 | 0.72 | KDM4E (0.55) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL7045045 | 0.68 | MAPT (0.39) | KDM4EMAPTALDH1A1 | |
| SCHEMBL7922281 | 0.68 | ACHE (0.38) | KDM4ENPC1NPSR1ACHEALDH1A1 | |
| SCHEMBL7914318 | 0.64 | ACHE (0.42) | KDM4EACHEALDH1A1HPGDKLK7 | |
| SCHEMBL7048653 | 0.64 | KDM4E (0.41) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL30464045 | 0.64 | KDM4E (0.41) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL20042468 | 0.64 | KDM4E (0.41) | KDM4EMAPTACHEALDH1A1HPGD | |
| SCHEMBL12240276 | 0.63 | PARP10 (0.44) | KDM4EMAPTNPSR1ACHEALDH1A1 |
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-117327049-A | Thiopyran nitrile near-infrared fluorescent dye and preparation method thereof | 东南大学 | 2024-01-02 | — | — | CN | disclosed |