Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL30697298 | 0.91 | CYP2D6 (0.42) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL28653322 | 0.91 | CYP2D6 (0.47) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL6161737 | 0.90 | TSHR (0.39) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL593510 | 0.88 | CHRNA3 (0.37) | CHRNB4CHRNA3HRH3 | |
| SCHEMBL593996 | 0.88 | CHRNA3 (0.37) | CHRNB4CHRNA3HRH3 | |
| SCHEMBL12471863 | 0.87 | HRH3 (0.36) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL592511 | 0.87 | TSHR (0.36) | TSHRCHRNB4CHRNA3 | |
| SCHEMBL10626116 | 0.84 | FDPS (0.39) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL593238 | 0.82 | FDPS (0.38) | CYP2D6MEN1ALDH1A1LMNATP53 | |
| SCHEMBL592876 | 0.82 | FDPS (0.38) | CYP2D6MEN1ALDH1A1LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3161029-A1 | PYRROLIDINE-BASED CATALYSTS FOR USE IN POLYURETHANE MATERIALS | Huntsman Petrochemical LLC (US) | 2017-05-03 | — | — | EP | disclosed |
| WO-2015200408-A1 | PYRROLIDINE-BASED CATALYSTS FOR USE IN POLYURETHANE MATERIALS | HUNTSMAN PETROCHEMICAL LLC (US) | 2015-12-30 | — | — | WO | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |