Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | RECQL | P46063 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6234926 | 0.84 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL5317134 | 0.84 | CYP2C19 (0.60) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL8804832 | 0.83 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL6354426 | 0.82 | CYP2C19 (0.61) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL6354430 | 0.82 | CYP2C19 (0.61) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| Hydrochloric Acid SCHEMBL5967107 | 0.82 | CYP2C19 (0.61) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL2565526 | 0.81 | KMT2A (0.61) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL3838650 | 0.81 | MAPT (0.59) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| Hydrochloric Acid SCHEMBL5622098 | 0.80 | KMT2A (0.60) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL10706954 | 0.80 | CYP2C19 (0.56) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |