Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL16838222 | 0.93 | RECQL (0.38) | NAAAEPHX1TSHRALDH1A1LMNA | |
| SCHEMBL20695794 | 0.78 | TSHR (0.57) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL19583356 | 0.78 | TSHR (0.57) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL19583397 | 0.78 | TSHR (0.57) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL20695795 | 0.78 | TSHR (0.57) | TSHRALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL1837444 | 0.78 | NAAA (0.67) | NAAAEPHX1TSHRALDH1A1LMNA | |
| SCHEMBL1839030 | 0.78 | NAAA (0.67) | NAAAEPHX1TSHRALDH1A1LMNA | |
| SCHEMBL1838958 | 0.78 | NAAA (0.67) | NAAAEPHX1TSHRALDH1A1LMNA | |
| SCHEMBL1839498 | 0.78 | NAAA (0.67) | NAAAEPHX1TSHRALDH1A1LMNA | |
| SCHEMBL1834574 | 0.78 | NAAA (0.67) | NAAAEPHX1TSHRALDH1A1LMNA |
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-112513039-B | TLR7 agonist prodrug, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |