Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.40 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1309349 | 0.84 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Trifluoroacetic Acid SCHEMBL21641094 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL42967 | 0.76 | — | — | |
| SCHEMBL18691836 | 0.76 | — | — | |
| SCHEMBL28824479 | 0.76 | GABRA5 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL28023799 | 0.76 | GABRA5 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Water SCHEMBL10853319 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL563782 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL1014829 | 0.73 | — | — | |
| SCHEMBL1769189 | 0.73 | — | — |
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-103998439-B | compound and asymmetric synthesis reaction | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 2016-03-23 | — | — | CN | disclosed |
| CN-103998439-A | Compound and asymmetric synthesis reaction | MICROBIAL CHEM RES FOUND | 2014-08-20 | — | — | CN | disclosed |
| CN-103270036-A | Isoxazoline derivatives as antiparasitic agents | PFIZER | 2013-08-28 | — | — | CN | disclosed |
| CN-1120837-A | Pyrazole derivatives | NISSAN CHEMICAL IND LTD (JP) | 1996-04-17 | — | — | CN | disclosed |