Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418591 | 0.84 | ALDH1A1 (0.36) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL15209920 | 0.84 | ALDH1A1 (0.36) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL252297 | 0.83 | CYP3A4 (0.37) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL8419728 | 0.82 | KDM4E (0.37) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL8711134 | 0.81 | TAAR1 (0.34) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL3298577 | 0.81 | ALDH1A1 (0.34) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL8708905 | 0.81 | LMNA (0.39) | ALDH1A1CASRKDM4EHPGDCYP3A4 | |
| SCHEMBL8419794 | 0.79 | ALDH1A1 (0.40) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL6541869 | 0.78 | LMNA (0.38) | TAAR1ALDH1A1CASRKDM4EMAPT | |
| SCHEMBL22654305 | 0.78 | ALDH1A1 (0.33) | TAAR1ALDH1A1CASRKDM4EMAPT |
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-7732365-B2 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060199728-A1 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2006-09-07 | — | — | US | disclosed |
| WO-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |