Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28637337 | 0.84 | SLC6A2 (0.66) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL28619401 | 0.84 | SLC6A2 (0.66) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL28636471 | 0.84 | SLC6A2 (0.66) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL6951792 | 0.83 | TSHR (0.51) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL28622638 | 0.82 | SLC6A3 (0.67) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL5400537 | 0.79 | SLC6A3 (0.51) | SLC6A2SLC6A3 | |
| SCHEMBL28622583 | 0.78 | SLC6A2 (0.69) | CYP3A4TSHRLMNACHRM2HTR1A | |
| SCHEMBL5379375 | 0.78 | SLC6A3 (0.52) | SLC6A2SLC6A3 | |
| SCHEMBL2728744 | 0.78 | TSHR (0.53) | CYP3A4TSHRLMNAALDH1A1TP53 | |
| SCHEMBL5668367 | 0.76 | TSHR (0.51) | CYP3A4TSHRLMNAALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6028198-A | CATALYTIC ESTERIFICATION OF 3-METHYL AZABICYCLO (3, 3, 1) NONAN-9 ALPHA-OL WITH METHYL OR ETHYL 2-PHENYL-2-CYCLOPENTYL-2-HYDROXY-ACETATE OR 2-PHENYL-2-CYCLOPENTYL-2-HYDROXY-ACETIC ACID | INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY SCIENCES P.L.A. (CN) | 2000-02-22 | — | — | US | disclosed |