Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 3/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CETP | P11597 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29783182 | 1.00 | AGPAT2 (0.53) | AGPAT2MAPTNPSR1CASP3SENP7 | |
| SCHEMBL29469496 | 0.91 | AGPAT2 (0.43) | AGPAT2MAPTNPSR1NPC1RAB9A | |
| SCHEMBL22660280 | 0.91 | AGPAT2 (0.43) | AGPAT2MAPTNPSR1NPC1RAB9A | |
| SCHEMBL22660247 | 0.89 | AGPAT2 (0.57) | AGPAT2MAPTNPSR1CASP3SENP7 | |
| SCHEMBL29469495 | 0.89 | AGPAT2 (0.57) | AGPAT2MAPTNPSR1CASP3SENP7 | |
| SCHEMBL22660296 | 0.87 | HDAC6 (0.47) | MAPTNPC1RAB9APOLBTP53 | |
| SCHEMBL29469484 | 0.87 | HDAC6 (0.47) | MAPTNPC1RAB9APOLBTP53 | |
| SCHEMBL29469479 | 0.85 | MAPT (0.53) | AGPAT2MAPTNPC1RAB9APOLB | |
| SCHEMBL22660246 | 0.85 | MAPT (0.53) | AGPAT2MAPTNPC1RAB9APOLB | |
| SCHEMBL10731024 | 0.81 | CASP3 (0.61) | AGPAT2MAPTNPSR1CASP3SENP7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114206443-B | Aromatic or heteroaromatic ring derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-114206443-A | Aromatic ring or heteroaromatic ring derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-03-18 | — | — | CN | disclosed |
| WO-2020228436-A1 | AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2020-11-19 | — | — | WO | disclosed |