Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6649954 | 0.90 | MEN1 (0.41) | POLBMEN1KMT2ACYP3A4SLC6A2 | |
| SCHEMBL4909564 | 0.79 | SLC6A4 (0.57) | POLBMEN1KMT2ACYP3A4SLC6A2 | |
| SCHEMBL4911570 | 0.75 | SLC6A2 (0.41) | POLBMEN1KMT2ACYP3A4SLC6A2 | |
| SCHEMBL4909463 | 0.74 | CYP3A4 (0.44) | MEN1KMT2ACYP3A4SLC6A2SLC6A4 | |
| SCHEMBL4908698 | 0.74 | SLC6A2 (0.54) | POLBCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4902168 | 0.74 | CYP3A4 (0.46) | MEN1KMT2ACYP3A4SLC6A2SLC6A4 | |
| SCHEMBL4908712 | 0.73 | CYP3A4 (0.42) | CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL4908219 | 0.71 | SLC6A2 (0.46) | MEN1KMT2ACYP3A4SLC6A2SLC6A4 | |
| SCHEMBL4900519 | 0.71 | CYP3A4 (0.41) | CYP3A4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL6674616 | 0.70 | SLC6A2 (0.41) | MEN1KMT2ACYP3A4SLC6A2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |