Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL9599870 | 0.85 | TDP1 (0.53) | TDP1LMNANPC1RAB9AMAPK1 | |
| Hydrochloric Acid SCHEMBL8457979 | 0.78 | NPC1 (0.52) | TDP1LMNANPC1RAB9AALDH1A1 | |
| SCHEMBL137486 | 0.77 | TDP1 (0.83) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL6009308 | 0.76 | ALDH1A1 (0.46) | LMNANPC1RAB9AALDH1A1PKM | |
| SCHEMBL28286830 | 0.75 | TDP1 (0.79) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL16217656 | 0.75 | TDP1 (0.79) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL547137 | 0.75 | TDP1 (0.79) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL13292516 | 0.75 | TDP1 (0.79) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL17540916 | 0.74 | HPGD (0.59) | TDP1LMNANPC1RAB9AESR1 | |
| SCHEMBL1444453 | 0.73 | NPC1 (0.49) | TDP1LMNANPC1RAB9AMAPK1 |
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-107250115-A | Novel compounds, their synthesis and their use in medicine and cosmetics | 盖尔德马研究及发展公司 | 2017-10-13 | — | — | CN | disclosed |