Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016803 | 0.70 | TBXA2R (0.44) | HTR2ATBXA2RKDM4ELMNACYP1A2 | |
| SCHEMBL8256345 | 0.69 | HTR2A (0.69) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| SCHEMBL9372217 | 0.69 | TBXA2R (0.46) | HTR2ATBXA2RHRH1HTR2C | |
| SCHEMBL11335219 | 0.69 | HTR2A (1.00) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| SCHEMBL14459215 | 0.68 | KIF11 (0.47) | TBXA2RKIF11 | |
| SCHEMBL11726371 | 0.67 | HTR2A (0.64) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| SCHEMBL20787747 | 0.65 | HTR2A (0.52) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| SCHEMBL10080430 | 0.65 | HTR2A (0.56) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| Hydrochloric Acid SCHEMBL9691406 | 0.63 | HTR2A (0.54) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 | |
| SCHEMBL5677282 | 0.63 | HTR2A (0.48) | HTR2ACYP2D6CYP3A4KDM4ESLC6A3 |
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-0740649-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | Byk Nederland BV (NL) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995019952-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1995-07-27 | — | — | WO | disclosed |