Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | POLQ | O75417 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 6/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL18161909 | 1.00 | KDM1A (0.43) | KDM1ARXRAGRIN1GRIN2BPOLQ | |
| SCHEMBL4949183 | 0.88 | HTR2C (0.57) | KDM1AADRA2ACHRNB2ADRA2CCHRNB4 | |
| SCHEMBL13838866 | 0.84 | KDM1A (0.61) | KDM1APOLQCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL17030738 | 0.82 | MGLL (0.40) | KDM1ARXRAGRIN1GRIN2BPOLQ | |
| SCHEMBL9615640 | 0.82 | CYP2C9 (0.44) | KDM1ARXRAGRIN1GRIN2BPOLQ | |
| SCHEMBL9615642 | 0.82 | CYP2C9 (0.44) | KDM1ARXRAGRIN1GRIN2BPOLQ | |
| SCHEMBL9615641 | 0.82 | CYP2C9 (0.44) | KDM1ARXRAGRIN1GRIN2BPOLQ | |
| SCHEMBL13698265 | 0.81 | HTR2A (0.53) | NOTUMHTR2CHTR2A | |
| SCHEMBL1820067 | 0.81 | DRD2 (0.48) | ADRA2ACHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL18745547 | 0.79 | EPHX1 (0.38) | KDM1ARXRAGRIN1GRIN2BADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631538-A | Novel potassium channel inhibitors | 萨尼奥纳有限责任公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-110072842-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-109863131-A | Prepare the phenyl that (1R, 3R) -2,2- dihalo -3-(replaces) phenyl that replaces of cyclopropane-carboxylic acid and (1S, 3S) -2,2- dihalo -3-() cyclopropane-carboxylic acid method | 美国陶氏益农公司 | 2019-06-07 | — | — | CN | disclosed |