Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 13/20 | 0.48 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.42 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.42 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779254 | 1.00 | CHRM3 (0.48) | CHRM3SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL27789305 | 0.91 | HDAC3 (0.44) | CHRM3SLC6A1SLC6A11SLC6A13HDAC1 | |
| SCHEMBL27714539 | 0.91 | HDAC3 (0.44) | CHRM3SLC6A1SLC6A11SLC6A13HDAC1 | |
| SCHEMBL27810874 | 0.91 | HDAC3 (0.44) | CHRM3SLC6A1SLC6A11SLC6A13HDAC1 | |
| SCHEMBL1428636 | 0.90 | CHRM3 (0.46) | CHRM3CHRM2CHRM1HDAC1HDAC2 | |
| SCHEMBL1367746 | 0.87 | HDAC1 (0.38) | CHRM3CHRM2CHRM1HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL22291356 | 0.85 | HDAC1 (0.38) | CHRM3CHRM2CHRM1HDAC1HDAC2 | |
| SCHEMBL25274161 | 0.85 | CHRM3 (0.42) | CHRM3CHRM2CHRM1HDAC1HDAC2 | |
| SCHEMBL27973838 | 0.81 | EPHX1 (0.45) | — | |
| SCHEMBL25518973 | 0.81 | CNR2 (0.40) | CHRM3CHRM2CHRM1HDAC1HDAC2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110267960-A | Substituted pyrazolo [1,5-a] pyrazine compound as RET kinase inhibitor | 阿雷生物药品公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-110177786-A | Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor | 阿雷生物药品公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-109563034-A | Chemical compound | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-108137559-A | Pyrimidine derivatives as BTK inhibitor and application thereof | 默克专利有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-108135175-A | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107849015-A | benzimidazole derivatives as PAD4 inhibitors | 葛兰素知识产权发展有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106831732-A | The composition and method of pyrimidine and pyridine compounds of the production with BTK inhibitory activity | 默克专利有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-104379574-B | For suppressing the heterocyclic carbamate derivatives of the activity of ABL1, ABL2 and BCR ABL1 | 诺华股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-103068797-B | Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application | SANOFI SA | 2015-03-11 | — | — | CN | disclosed |
| CN-104379574-A | Benzamide derivatives for inhibiting the activity of ABL1, ABL 2 and BCR-ABL 1 | NOVARTIS AG | 2015-02-25 | — | — | CN | disclosed |
| CN-103814016-A | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | MERCK PATENT GMBH | 2014-05-21 | — | — | CN | disclosed |
| CN-103649077-A | Sulfonamide derivatives of cycloaliphatic amines for the treatment of central nervous system disorders | ADAMED SP ZOO | 2014-03-19 | — | — | CN | disclosed |
| CN-103068797-A | Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application | SANOFI SA | 2013-04-24 | — | — | CN | disclosed |