Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1764528 | 0.83 | GAA (0.64) | PTGS2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL7236001 | 0.81 | ALDH1A1 (0.59) | PTGS2MAPTNPC1RAB9AMEN1 | |
| SCHEMBL19625309 | 0.79 | PTGS2 (0.48) | PTGS2MAPTNPC1RAB9AMEN1 | |
| SCHEMBL1774137 | 0.79 | RAB9A (0.58) | MAPTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL3767170 | 0.76 | ATP4A (0.57) | MAPTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL30087395 | 0.76 | ATP4A (0.57) | MAPTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL29674716 | 0.76 | ABL1 (0.44) | PTGS2MAPTNPC1RAB9AMEN1 | |
| SCHEMBL9435249 | 0.75 | MAPT (0.63) | MAPTNPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17407189 | 0.75 | MAPT (0.46) | PTGS2MAPTNPC1RAB9AMEN1 | |
| SCHEMBL7436552 | 0.75 | PTGS2 (0.45) | PTGS2MAPTNPC1RAB9AMEN1 |
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-113912595-A | Compound containing thiazole or thiadiazole structure and application thereof | 中国药科大学 | 2022-01-11 | — | — | CN | disclosed |