Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL21959474 | 0.92 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19POLB | |
| SCHEMBL28865180 | 0.87 | MME (0.39) | CYP2C19 | |
| SCHEMBL38662261 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL18152435 | 0.80 | PPARG (0.46) | MEN1KMT2AGAASLC6A4LMNA | |
| SCHEMBL18152438 | 0.80 | PPARG (0.46) | MEN1KMT2AGAASLC6A4LMNA | |
| SCHEMBL31547206 | 0.79 | CNR2 (0.44) | MEN1RAB9AKMT2ANPC1NPSR1 | |
| SCHEMBL8057378 | 0.77 | MAPT (0.50) | ALDH1A1MEN1MAPTRAB9AKMT2A | |
| SCHEMBL8066335 | 0.76 | CYP1A2 (0.83) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL5789571 | 0.75 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL1153337 | 0.75 | LDHA (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 |
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-103159738-B | The heteroaryl aroma compounds of alkynyl bridging and application thereof | 上海泓博智源医药股份有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-103159738-A | Mixed aromatic compound of alkynyl bridging and application thereof | SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD | 2013-06-19 | — | — | CN | disclosed |