Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8190955 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL2017698 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL23618167 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL10688731 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL14744437 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL8436634 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL7323045 | 0.77 | MMP8 (0.54) | ALDH1A1L3MBTL1KMT2ATSHRLMNA | |
| SCHEMBL14873821 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL12191612 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A | |
| SCHEMBL5768186 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A |
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-107001295-A | Isoxazole hydroxamic acid compounds as lpxc inhibitors | 诺华股份有限公司 | 2017-08-01 | — | — | CN | disclosed |