Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.50 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980291 | 0.83 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPSR1POLBNPC1 | |
| SCHEMBL23875683 | 0.81 | LTB4R (0.52) | ALDH1A1RAB9APOLBLTB4RLTB4R2 | |
| SCHEMBL2003322 | 0.80 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPSR1POLBNPC1 | |
| SCHEMBL7398650 | 0.77 | ACHE (0.60) | ALDH1A1RAB9APOLBFFAR1HPGD | |
| SCHEMBL11399936 | 0.77 | ACHE (0.60) | ALDH1A1RAB9APOLBFFAR1HPGD | |
| SCHEMBL1149768 | 0.77 | FFAR1 (0.70) | ALDH1A1RAB9APOLBFFAR1HPGD | |
| SCHEMBL237090 | 0.77 | FFAR1 (0.70) | ALDH1A1RAB9APOLBFFAR1HPGD | |
| SCHEMBL237091 | 0.77 | FFAR1 (0.70) | ALDH1A1RAB9APOLBFFAR1HPGD | |
| SCHEMBL7681247 | 0.76 | LTB4R (0.51) | ALDH1A1RAB9ANPSR1POLBLTB4R | |
| SCHEMBL1149769 | 0.75 | FFAR1 (0.53) | ALDH1A1RAB9ANPSR1POLBFFAR1 |
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-108732269-B | Method for simultaneously detecting side chain and isomer impurities of statin | 合肥合源药业有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-100368386-C | Method for synthesizing (+/-) p-fluoro-2- (2-methyl-propionyl) -4-oxy-N, 3-diphenyl-phenylbutylamide and intermediate thereof | INST OF MEDICAL MATERIALS CHIN (CN) | 2008-02-13 | — | — | CN | disclosed |