Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.30 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL25919952 | 0.79 | SLC18A3 (0.38) | ADORA2AADORA2BHPGDSHTR2CHRH3 | |
| SCHEMBL27323115 | 0.76 | CACNA1H (0.40) | HRH3 | |
| SCHEMBL3949876 | 0.73 | GABRA1 (0.52) | HPGDSHTR2CSLC18A3SIGMAR1GABRA1 | |
| SCHEMBL18814355 | 0.72 | HTR2C (0.37) | ADORA2AADORA2BHPGDSHTR2CHRH3 | |
| Hydrochloric Acid SCHEMBL2902954 | 0.71 | HTR2C (0.39) | ADORA2AADORA2BHPGDSHTR2CHRH3 | |
| Hydrochloric Acid SCHEMBL31583308 | 0.70 | HTR6 (0.46) | HTR2CGABRA1GABRB2 | |
| SCHEMBL2755238 | 0.70 | SLC6A2 (0.59) | HPGDSSLC18A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL240186 | 0.69 | SLC6A2 (0.58) | HPGDSSLC18A3SIGMAR1 | |
| SCHEMBL25934002 | 0.68 | HTR2C (0.41) | HPGDSHTR2CPARP1MEN1KMT2A | |
| SCHEMBL4796049 | 0.65 | PARP1 (0.41) | PARP1MEN1KMT2A |
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-108430991-A | CGRP receptor antagonist | 赫普塔瑞斯医疗有限公司 | 2018-08-21 | — | — | CN | disclosed |