Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 8/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4830410 | 0.74 | HSD11B1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL28340951 | 0.74 | HSD11B1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL31228434 | 0.72 | HSD11B1 (0.49) | GRM1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1740411 | 0.72 | HSD11B1 (0.49) | GRM1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Bromide SCHEMBL17009295 | 0.72 | HSD11B1 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22495306 | 0.72 | GRM1 (0.67) | GRM1ALDH1A1GRM5CYP3A4CYP2D6 | |
| Carbamic Acid SCHEMBL5075379 | 0.70 | NAPRT (0.48) | ALDH1A1CYP3A4L3MBTL1TSHR | |
| Acetic Acid SCHEMBL31014315 | 0.70 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TSHR | |
| Acetic Acid SCHEMBL28533842 | 0.70 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL6015474 | 0.70 | HSD11B1 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-106795111-B | N-alkylaryl-5-oxyaryl-octahydro-cyclopenta [ C ] pyrroles as negative allosteric modulators of NR2B | 科登特治疗公司 | 2020-04-07 | — | — | CN | disclosed |