Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5235723 | 0.88 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2CYP3A4TDP1TSHR | |
| SCHEMBL5202332 | 0.84 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2CYP3A4TDP1TSHR | |
| SCHEMBL1090443 | 0.80 | BCL2L1 (0.54) | ALDH1A1SMN1; SMN2CYP3A4TDP1TSHR | |
| SCHEMBL5202623 | 0.78 | CA2 (0.47) | ALDH1A1SMN1; SMN2CYP3A4TDP1POLB | |
| SCHEMBL19756727 | 0.77 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2CYP3A4TDP1TSHR | |
| SCHEMBL19756726 | 0.75 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2CYP3A4TDP1TSHR | |
| SCHEMBL999135 | 0.75 | POLB (0.54) | ALDH1A1SMN1; SMN2TDP1HTTPOLB | |
| SCHEMBL5202024 | 0.74 | RAB9A (0.39) | SMN1; SMN2CYP3A4TDP1LMNADYRK1A | |
| SCHEMBL5238184 | 0.74 | KMT2A (0.41) | ALDH1A1SMN1; SMN2TDP1TSHRHTT | |
| SCHEMBL1884933 | 0.74 | HDAC1 (0.60) | SMN1; SMN2TDP1POLBLMNAPIN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1527073-B1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | BAYER HEALTHCARE AG (DE) | 2007-08-22 | — | — | EP | disclosed |
| EP-1461335-B1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1527073-A1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | Bayer HealthCare AG (DE) | 2005-05-04 | — | — | EP | disclosed |
| EP-1461335-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | Bayer HealthCare AG (DE) | 2004-09-29 | — | — | EP | disclosed |
| WO-2004013136-A1 | BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS | BAYER HEALTHCARE AG (DE) | 2004-02-12 | — | — | WO | disclosed |
| WO-2003055878-A1 | 2-HETEROARYLCARBOXYLIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2003-07-10 | — | — | WO | disclosed |