Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 3/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.53 |
| ▸ | KDM5A | P29375 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400723 | 0.88 | EPHX2 (0.58) | ALDH1A1TSHRLMNASMN1; SMN2HSD11B1 | |
| SCHEMBL28406359 | 0.84 | EPHX1 (0.66) | ALDH1A1MAPTNPSR1 | |
| SCHEMBL28410644 | 0.82 | EPHX2 (0.55) | ALDH1A1TSHRLMNAMAPTHTT | |
| SCHEMBL16002879 | 0.81 | L3MBTL1 (0.64) | ALDH1A1TSHRLMNAMGLLHSD11B1 | |
| SCHEMBL28402766 | 0.80 | KMT2A (0.53) | ALDH1A1TSHRLMNAHTTMGLL | |
| SCHEMBL16000516 | 0.79 | L3MBTL1 (0.61) | ALDH1A1TSHRHTTMGLLHSD11B1 | |
| SCHEMBL28403244 | 0.79 | KMT2A (0.56) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL29363800 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNAMAPTNPSR1 | |
| SCHEMBL4516387 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNAMAPTNPSR1 | |
| SCHEMBL29530983 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNAMAPTNPSR1 |
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-108440389-B | 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof | 山东大学 | 2020-05-29 | — | — | CN | disclosed |