Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.39 |
| ▸ | LOXL4 | Q96JB6 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999668 | 0.82 | CYP19A1 (0.42) | ALDH1A1MAPTSMN1; SMN2KMT2AGAA | |
| SCHEMBL23918368 | 0.76 | RECQL (0.41) | ALDH1A1MAPTSMN1; SMN2TSHRKMT2A | |
| SCHEMBL3920542 | 0.75 | ALDH1A1 (0.43) | ALDH1A1USP2POLBMAPTHPGD | |
| SCHEMBL11048590 | 0.70 | ALDH1A1 (0.51) | ALDH1A1POLBMAPTSMN1; SMN2KMT2A | |
| SCHEMBL17035282 | 0.69 | ALOX5 (0.46) | ALDH1A1MAPTTSHRKMT2AGAA | |
| SCHEMBL7789826 | 0.69 | GSK3A (0.41) | ALDH1A1USP2POLBMAPTHPGD | |
| SCHEMBL11436933 | 0.69 | HPGD (0.47) | ALDH1A1MAPTHPGDSMN1; SMN2KMT2A | |
| SCHEMBL10763322 | 0.68 | LOX (0.40) | ALDH1A1USP2POLBMAPTHPGD | |
| SCHEMBL14446344 | 0.68 | LOX (0.43) | ALDH1A1USP2POLBMAPTHPGD | |
| SCHEMBL12900984 | 0.67 | LMNA (0.50) | ALDH1A1USP2POLBMAPTHPGD |
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-105561311-B | Pharmaceutical composition comprising 3- (3- dimethylamino -1- Ethyl-2-Methyl-propyl)-phenol and NSAID | 格吕伦塔尔有限公司 | 2019-07-16 | — | — | CN | disclosed |