Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22302407 | 0.71 | THRB (0.38) | ALDH1A1MEN1TSHRKMT2AL3MBTL1 | |
| SCHEMBL25394911 | 0.69 | THRB (0.30) | THRB | |
| SCHEMBL6744018 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL1291018 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL7222931 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL7218977 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL7223934 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL7217974 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL7224973 | 0.61 | NAAA (0.57) | ALDH1A1TSHRNPSR1LMNA | |
| SCHEMBL21921211 | 0.61 | LRRK2 (0.52) | ALDH1A1MEN1KMT2ANPSR1L3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115353509-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-111295374-B | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115052866-A | Crystal form of free base of nitrogen-containing heteroaromatic derivative | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-113493440-A | Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof | 上海翰森生物医药科技有限公司 | 2021-10-12 | — | — | CN | disclosed |
| CN-111295374-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-06-16 | — | — | CN | disclosed |