Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217262 | 1.00 | DPP4 (0.36) | DPP4NR1H2NR1H3GABRA1TSHR | |
| SCHEMBL28217672 | 0.96 | DPP4 (0.32) | DPP4NR1H2NR1H3ANPEP | |
| SCHEMBL28217673 | 0.96 | DPP4 (0.32) | DPP4NR1H2NR1H3ANPEP | |
| SCHEMBL28045533 | 0.85 | GABRA1 (0.46) | DPP4NR1H2NR1H3GABRA1TSHR | |
| SCHEMBL28217237 | 0.82 | TSHR (0.43) | TSHRCYP1A2CYP3A4HTR2CHTR2B | |
| SCHEMBL28217238 | 0.82 | TSHR (0.43) | TSHRCYP1A2CYP3A4HTR2CHTR2B | |
| SCHEMBL28217235 | 0.78 | MEN1 (0.36) | DPP4NR1H2NR1H3GABRA1TSHR | |
| SCHEMBL28217232 | 0.78 | MEN1 (0.36) | DPP4NR1H2NR1H3GABRA1TSHR | |
| SCHEMBL21154977 | 0.74 | GABRA1 (0.40) | DPP4NR1H2NR1H3GABRA1TSHR | |
| SCHEMBL28217215 | 0.74 | KCNQ2 (0.32) | HTR2CHTR2BHIF1AALDH1A1 |
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-108017559-B | Benzene ring derivative and application thereof in medicine | 四川海思科制药有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-108017559-A | Phenyl ring derivative and its application in medicine | 四川海思科制药有限公司 | 2018-05-11 | — | — | CN | disclosed |