Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | ARG1 | P05089 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31228335 | 0.98 | MEN1 (0.65) | MEN1BLMKMT2ASLC1A2ARG1 | |
| Hydrochloric Acid SCHEMBL31228685 | 0.98 | MEN1 (0.65) | MEN1BLMKMT2ASLC1A2ARG1 | |
| SCHEMBL7719382 | 0.89 | MEN1 (0.50) | MEN1BLMKMT2ASLC1A2CYP3A4 | |
| SCHEMBL30850131 | 0.89 | SLC1A2 (0.64) | MEN1BLMKMT2ASLC1A2ARG1 | |
| SCHEMBL7719386 | 0.89 | MEN1 (0.50) | MEN1BLMKMT2ASLC1A2CYP3A4 | |
| SCHEMBL10430282 | 0.89 | SLC1A2 (0.64) | MEN1BLMKMT2ASLC1A2ARG1 | |
| SCHEMBL7719379 | 0.89 | MEN1 (0.50) | MEN1BLMKMT2ASLC1A2CYP3A4 | |
| SCHEMBL28060859 | 0.86 | MEN1 (0.67) | MEN1BLMKMT2ASLC1A2ARG1 | |
| SCHEMBL2177343 | 0.81 | MEN1 (0.61) | MEN1BLMKMT2ASLC1A2ARG1 | |
| SCHEMBL17756096 | 0.81 | MEN1 (0.61) | MEN1BLMKMT2ASLC1A2ARG1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102952130-B | The method of chiral synthesize (S, S)-2,8-diazabicyclo nonane | CHONGQING HUABANGSHENGKAI PHARM. Co.,Ltd. (CN) | 2016-03-23 | — | — | CN | disclosed |