Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 6/20 | 0.43 |
| ▸ | CTSL | P07711 | 4/20 | 0.43 |
| ▸ | CTSB | P07858 | 4/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | KYNU | Q16719 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL27558112 | 0.77 | CHRNB2 (0.56) | ALDH1A1MAPTHPGDABCB1LMNA | |
| SCHEMBL7344839 | 0.76 | ALDH1A1 (0.51) | ALDH1A1ALOX15MAPTHPGDCTSK | |
| SCHEMBL394346 | 0.76 | ALDH1A1 (0.63) | ALDH1A1LMNAKMT2AMAPK1L3MBTL1 | |
| SCHEMBL28392160 | 0.75 | HSD17B2 (0.47) | KMT2A | |
| Trimethylammonium SCHEMBL28191476 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDCTSKCTSL | |
| SCHEMBL4319237 | 0.74 | ALDH1A1 (0.58) | ALDH1A1ALOX15MAPTCTSKKYNU | |
| SCHEMBL4319242 | 0.74 | ALDH1A1 (0.58) | ALDH1A1ALOX15MAPTCTSKKYNU | |
| SCHEMBL22193647 | 0.74 | ABCB1 (0.46) | ALDH1A1MAPTHPGDKDM1AMAOA | |
| SCHEMBL7213716 | 0.73 | ALDH1A1 (0.56) | ALDH1A1ALOX15MAPTCTSKCTSB | |
| SCHEMBL4712055 | 0.73 | ALDH1A1 (0.42) | ALDH1A1ALOX15MAPTHPGDKYNU |
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-111116510-B | 2-substituted methylene dihydrobenzo [ d ] thiazole derivatives and synthesis method and application thereof | 华东师范大学 | 2022-07-05 | — | — | CN | disclosed |