Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL345589 | 0.81 | HTR2A (0.42) | CHRNB2CHRNA4SCN9AEPHX2HTR2A | |
| SCHEMBL7745693 | 0.80 | CHRNB2 (0.42) | CHRNB2CHRNA4SCN9AHTR2AHTR2C | |
| SCHEMBL2710155 | 0.80 | G6PD (0.36) | CHRNB2CHRNA4SCN9AHTR2AHTR2C | |
| SCHEMBL15531515 | 0.79 | TRPA1 (0.41) | CHRNB2CHRNA4SCN9AEPHX2HTR2A | |
| SCHEMBL5365399 | 0.75 | SMN1; SMN2 (0.38) | KDM1AEPHX2HTR2AHTR2CHTR2B | |
| SCHEMBL27520667 | 0.75 | CHRNB2 (0.39) | CHRNB2CHRNA4SCN9AEPHX2 | |
| SCHEMBL15531513 | 0.71 | ALDH1A1 (0.45) | SCN9AHTR2AHTR2CHTR2B | |
| SCHEMBL25981340 | 0.71 | NOTUM (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL19249590 | 0.69 | SCN9A (0.40) | SCN9AEPHX2 | |
| SCHEMBL4614491 | 0.69 | SCN9A (0.34) | CHRNB2CHRNA4SCN9A |
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-107501099-A | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104788328-B | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-101935301-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2011-01-05 | — | — | CN | disclosed |
| CN-101891680-A | The adjusting control agent of ATP- combination cassette transporters | VERTEX PHARMA | 2010-11-24 | — | — | CN | disclosed |