Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20496870 | 0.82 | RIPK1 (0.50) | GAAMAPTKMT2ARIPK1TAAR1 | |
| SCHEMBL16108114 | 0.81 | KMT2A (0.49) | MAPTKMT2ARIPK1TAAR1LMNA | |
| SCHEMBL20027156 | 0.81 | ALOX12 (0.69) | GAAMAPTKMT2ALMNAALDH1A1 | |
| SCHEMBL5797358 | 0.79 | KMT2A (0.50) | MAPTKMT2ARIPK1TAAR1LMNA | |
| SCHEMBL7797848 | 0.79 | LMNA (0.47) | GAAMAPTKMT2ARIPK1LMNA | |
| SCHEMBL2025930 | 0.77 | GAA (0.45) | GAAMAPTKMT2ATAAR1LMNA | |
| SCHEMBL29372134 | 0.77 | GAA (0.45) | GAAMAPTKMT2ATAAR1LMNA | |
| SCHEMBL11617748 | 0.74 | TAAR1 (0.52) | GAAMAPTKMT2ARIPK1TAAR1 | |
| SCHEMBL4018473 | 0.74 | KMT2A (0.49) | MAPTKMT2ARIPK1TAAR1LMNA | |
| SCHEMBL457957 | 0.73 | GAA (1.00) | GAAMAPTKMT2ATAAR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349215-A | Amorphism of compound A benzoate, preparation method thereof, and amorphism-containing medicinal composition | 深圳信立泰药业股份有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-106349216-A | Crystal form alpha of compound A, preparation method thereof, and medical composition comprising crystal form | 深圳信立泰药业股份有限公司 | 2017-01-25 | — | — | CN | disclosed |