Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27648478 | 0.87 | F2R (0.46) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL260917 | 0.78 | GABRA1 (0.42) | MEN1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL30578286 | 0.77 | ESR1 (0.46) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL10770139 | 0.77 | ESR1 (0.46) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL581465 | 0.77 | ESR1 (0.46) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL28391695 | 0.76 | ESR1 (0.45) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL8744698 | 0.76 | ESR1 (0.45) | CYP2C9ESR1ESR2MEN1KMT2A | |
| SCHEMBL3468225 | 0.75 | SMN1; SMN2 (0.51) | CYP2C9MEN1KMT2ALMNAAKR1B10 | |
| SCHEMBL5309095 | 0.74 | CTNNB1 (0.46) | ESR1ESR2KMT2ATDP1ALDH1A1 | |
| SCHEMBL11599056 | 0.74 | ERCC5 (0.49) | CYP2C9ESR1ESR2MEN1KMT2A |
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-113800999-A | Dexmedetomidine hydrochloride impurity and synthesis method and application thereof | 广东嘉博制药有限公司 | 2021-12-17 | — | — | CN | claimed |
| CN-113800999-A | Dexmedetomidine hydrochloride impurity and synthesis method and application thereof | 广东嘉博制药有限公司 | 2021-12-17 | — | — | CN | disclosed |