Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2749751 | 0.79 | HTT (0.49) | HTTTGFBR1CA1CA2MAPT | |
| SCHEMBL8404524 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP2A6MAPTTDP1TSHR | |
| SCHEMBL29404615 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP2A6MAPTTDP1TSHR | |
| SCHEMBL18322219 | 0.75 | HTT (0.53) | HTTCA1CA2MAPTTSHR | |
| Ammonia Solution, Strong SCHEMBL28514949 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP2A6MAPTTDP1TSHR | |
| SCHEMBL818940 | 0.73 | HTT (0.52) | HTTCYP1A2CA1CA2MAPT | |
| SCHEMBL9226415 | 0.73 | CYP1A2 (0.57) | HTTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL28474208 | 0.73 | CYP1A2 (0.53) | HTTCYP1A2CYP2A6MAPTKDM4E | |
| SCHEMBL16168207 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP2A6MAPTKMT2ANPSR1 | |
| SCHEMBL1564051 | 0.73 | IDO1 (0.57) | CYP1A2CYP2A6MEN1MAPTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112121463-B | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2022-03-22 | — | — | CN | claimed |
| CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2020-12-25 | — | — | CN | claimed |
| CN-112121463-B | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 烟台宁远药业有限公司 | 2020-12-25 | — | — | CN | disclosed |