Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5235524 | 0.82 | CYP2A6 (0.51) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL27613491 | 0.81 | CYP2A6 (0.50) | ALDH1A1GAAMAPTKDM4EPOLB | |
| Hydrochloric Acid SCHEMBL27655726 | 0.81 | CYP2A6 (0.50) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL5516018 | 0.81 | MAPT (0.58) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL4890102 | 0.81 | CHRNA7 (0.48) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL844336 | 0.80 | BCL2L1 (0.53) | ALDH1A1KDM4ECHRNA7NAMPTCYP2A6 | |
| SCHEMBL5531762 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GAAMAPTKDM4ECHRNA7 | |
| SCHEMBL15194378 | 0.79 | CYP2A6 (0.51) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL1098501 | 0.78 | HPGD (0.54) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL5529446 | 0.77 | LMNA (0.59) | MAPTKDM4ECHRNA7NAMPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029608-A1 | SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE | Boehringer Ingelheim International GmbH (DE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007146602-A1 | SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, THEIR PREPARATION AND USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-21 | — | — | WO | disclosed |