Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048918 | 0.92 | GRIN1 (0.40) | GRIN1GRIN2AMAPK1ALDH1A1TAAR1 | |
| SCHEMBL11724574 | 0.68 | HTT (0.37) | ALDH1A1OTUD7BDPP4MAOAMAOB | |
| SCHEMBL6730464 | 0.68 | GRIN1 (0.43) | GRIN1GRIN2AALDH1A1PDE4APDE4B | |
| SCHEMBL8087689 | 0.67 | MAOA (0.44) | GRIN1GRIN2AALDH1A1PDE4APDE4B | |
| SCHEMBL6730223 | 0.66 | GRIN1 (0.42) | GRIN1GRIN2APDE4APDE4BPDE4C | |
| SCHEMBL6942322 | 0.64 | LMNA (0.40) | GRIN1GRIN2AALDH1A1PDE4APDE4B | |
| SCHEMBL14378048 | 0.64 | LMNA (0.40) | GRIN1GRIN2AALDH1A1PDE4APDE4B | |
| Benzonitrile SCHEMBL9621107 | 0.64 | TSHR (0.64) | ALDH1A1MAOAMAOBTSHR | |
| SCHEMBL6727109 | 0.62 | PDE4A (0.41) | GRIN1GRIN2AALDH1A1PDE4APDE4B | |
| Diphenylmethane SCHEMBL28143078 | 0.62 | CALM1 (0.41) | MAOAMAOBMEN1KMT2ALTA4H |
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-116354870-A | Method for synthesizing 3-benzyl-1- (tert-butoxycarbonyl) piperidine-3-carboxylic acid | 苏州特瑞药业股份有限公司 | 2023-06-30 | — | — | CN | claimed |