Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17553803 | 0.87 | TRPA1 (0.41) | CYP1A2ALDH1A1CA1CA2CA7 | |
| SCHEMBL14879226 | 0.87 | ACHE (0.39) | ALDH1A1ACHETAAR1KDM4E | |
| SCHEMBL18900224 | 0.81 | — | — | |
| SCHEMBL18753182 | 0.78 | ESR1 (0.38) | CYP1A2CYP2A6KAT2BTAAR1 | |
| SCHEMBL16016173 | 0.77 | TAAR1 (0.42) | KAT2BALDH1A1TSHRACHETAAR1 | |
| SCHEMBL13762652 | 0.76 | KAT2B (0.40) | KAT2BALDH1A1KDM4E | |
| SCHEMBL17771887 | 0.75 | ALDH1A1 (0.45) | KAT2BALDH1A1CA1CA2CA9 | |
| SCHEMBL14024290 | 0.75 | KAT2B (0.35) | KAT2B | |
| SCHEMBL14587610 | 0.75 | NOS2 (0.38) | ALDH1A1KDM4E | |
| SCHEMBL31167361 | 0.74 | KAT2B (0.33) | KAT2BALDH1A1KDM4E |
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-110540526-B | Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof | 广西大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-110746416-A | Glutaminase GLS1 inhibitor containing triazole structure or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2020-02-04 | — | — | CN | disclosed |
| CN-110540526-A | Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof | UNIV GUANGXI | 2019-12-06 | — | — | CN | disclosed |