Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585244 | 0.88 | HTR7 (0.73) | ALDH1A1POLBSIGMAR1HPGDALOX15 | |
| SCHEMBL29078387 | 0.88 | SMN1; SMN2 (0.57) | ALDH1A1POLBHTR1AHTR7ACHE | |
| SCHEMBL29078385 | 0.87 | L3MBTL1 (0.67) | ALDH1A1SIGMAR1CA1CA2CA7 | |
| SCHEMBL3837995 | 0.85 | MAPK1 (0.58) | ALDH1A1MDM2POLBHPGDALOX15 | |
| SCHEMBL13621137 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MDM2POLBHPGDALOX15 | |
| SCHEMBL29078428 | 0.84 | CYP1A2 (0.57) | ALDH1A1POLBSIGMAR1TDP1KDM4E | |
| SCHEMBL30585257 | 0.84 | CYP1A2 (0.57) | ALDH1A1POLBSIGMAR1TDP1KDM4E | |
| Hydrochloric Acid SCHEMBL3842578 | 0.84 | MAPK1 (0.57) | ALDH1A1MDM2POLBHPGDALOX15 | |
| SCHEMBL4818022 | 0.84 | CA1 (0.76) | ALDH1A1MDM2CA1CA2CA7 | |
| SCHEMBL29078401 | 0.84 | ALDH1A1 (0.75) | ALDH1A1MDM2POLBTDP1CA1 |
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-116803981-A | Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof | 温州医科大学 | 2023-09-26 | — | — | CN | claimed |
| CN-116803981-A | Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof | 温州医科大学 | 2023-09-26 | — | — | CN | disclosed |