Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.34 |
| ▸ | CDK9 | P50750 | 4/20 | 0.34 |
| ▸ | HRH1 | P35367 | 4/20 | 0.34 |
| ▸ | SLC6A15 | Q9H2J7 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL7140424 | 0.88 | PTAFR (0.40) | PTAFRKCNH2DRD2GABRG2GABRB3 | |
| Oxalic Acid SCHEMBL7138914 | 0.84 | KDM4E (0.40) | PTAFRKCNH2ALDH1A1DRD2DRD3 | |
| SCHEMBL7136262 | 0.82 | PTAFR (0.43) | PTAFRKCNH2ALDH1A1DRD2DRD3 | |
| SCHEMBL7141837 | 0.81 | HRH1 (0.50) | PTAFRKCNH2ALDH1A1GABRG2GABRB3 | |
| SCHEMBL8207786 | 0.81 | HRH1 (0.42) | ALDH1A1DRD2HRH1 | |
| SCHEMBL9284701 | 0.81 | SIGMAR1 (0.42) | HRH1 | |
| SCHEMBL7139726 | 0.80 | HRH1 (0.38) | PTAFRKCNH2DRD2HRH1 | |
| SCHEMBL7142033 | 0.76 | DRD2 (0.56) | PTAFRKCNH2ALDH1A1DRD2DRD4 | |
| SCHEMBL7166986 | 0.76 | HRH1 (0.47) | KCNH2HRH1 | |
| Oxalic Acid SCHEMBL7143554 | 0.76 | LMNA (0.41) | PTAFRKCNH2ALDH1A1DRD2DRD3 |
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-0675887-B1 | ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2003-04-02 | — | — | EP | disclosed |