Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5247396 | 0.83 | ALDH1A1 (0.76) | ALDH1A1TSHRPLA2G10DAOMCL1 | |
| SCHEMBL28582228 | 0.78 | HTR4 (0.45) | CNR1CNR2 | |
| SCHEMBL21822179 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHRNPC1RAB9APLA2G10 | |
| SCHEMBL31689667 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHRNPC1RAB9APLA2G10 | |
| SCHEMBL21822442 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRPLA2G10DAOMCL1 | |
| SCHEMBL31689665 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRPLA2G10DAOMCL1 | |
| SCHEMBL1672113 | 0.75 | RAB9A (0.72) | ALDH1A1NPC1RAB9AMAPTCYP1A2 | |
| SCHEMBL5208338 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHRPLA2G10DAOMCL1 | |
| SCHEMBL30194196 | 0.71 | ALDH1A1 (1.00) | ALDH1A1TSHRPLA2G10DAOMCL1 | |
| SCHEMBL9260948 | 0.71 | ALDH1A1 (0.79) | ALDH1A1TSHRPLA2G10DAOMCL1 |
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-112996529-A | Matriptase 2 inhibitor and application thereof | 迪斯克医药公司 | 2021-06-18 | — | — | CN | disclosed |