Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872329 | 1.00 | CYP1A2 (0.36) | CYP1A2POLBCYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL5872332 | 1.00 | CYP1A2 (0.36) | CYP1A2POLBCYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL5872257 | 1.00 | CYP1A2 (0.36) | CYP1A2POLBCYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL19719218 | 0.87 | EGFR (0.33) | ATM | |
| SCHEMBL2077742 | 0.84 | ATM (0.35) | CYP1A2CYP2C19ALDH1A1CYP3A4MAPT | |
| SCHEMBL2077738 | 0.84 | ATM (0.35) | CYP1A2CYP2C19ALDH1A1CYP3A4MAPT | |
| SCHEMBL2513974 | 0.84 | ATM (0.35) | CYP1A2CYP2C19ALDH1A1CYP3A4MAPT | |
| SCHEMBL5872354 | 0.75 | GAA (0.35) | CYP1A2POLBGAAHSD11B1ELANE | |
| SCHEMBL5872352 | 0.75 | GAA (0.35) | CYP1A2POLBGAAHSD11B1ELANE | |
| SCHEMBL5198167 | 0.74 | BRD4 (0.34) | SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7126028-B1 | Process for preparing chiral compounds | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2006-10-24 | — | — | US | disclosed |
| EP-1135349-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034210-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2000-06-15 | — | — | WO | disclosed |