Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2782387 | 0.90 | TDP1 (0.47) | CYP1A2TDP1GLAALDH1A1MAPT | |
| SCHEMBL3320434 | 0.90 | CYP1A2 (0.46) | CYP1A2TDP1GLAALDH1A1MAPT | |
| SCHEMBL1532600 | 0.83 | TRPA1 (0.48) | CYP1A2TDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1532602 | 0.83 | TRPA1 (0.48) | CYP1A2TDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL8041324 | 0.81 | LMNA (0.49) | CYP1A2TDP1ALDH1A1MAPTLMNA | |
| SCHEMBL1199677 | 0.80 | TDP1 (0.52) | CYP1A2TDP1GLAALDH1A1MAPT | |
| SCHEMBL7097856 | 0.80 | TDP1 (0.52) | CYP1A2TDP1GLAALDH1A1MAPT | |
| SCHEMBL7194535 | 0.79 | CYP1A2 (0.49) | CYP1A2TDP1GLAALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6743369 | 0.79 | TDP1 (0.50) | CYP1A2TDP1GLAALDH1A1MAPT | |
| SCHEMBL3070948 | 0.75 | CYP1A2 (0.53) | CYP1A2TDP1GLAALDH1A1MAPT |
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 |