Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20865636 | 0.77 | CYP2C19 (0.51) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL20857027 | 0.77 | CYP2C19 (0.61) | CYP2C19TSHRUSP2LMNASMN1; SMN2 | |
| SCHEMBL26209114 | 0.75 | CYP2C19 (0.49) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL20857024 | 0.75 | CYP2C19 (0.55) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL22299758 | 0.73 | CYP2C19 (0.53) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL20857025 | 0.73 | CYP2C19 (0.48) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL21078258 | 0.70 | HTR1A (0.46) | CYP2C19TSHRHRH1ALDH1A1CYP3A4 | |
| SCHEMBL28898592 | 0.70 | CYP2C19 (0.43) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL22287259 | 0.68 | CYP2C19 (0.43) | CYP2C19TSHRUSP2HRH2HRH1 | |
| SCHEMBL7503597 | 0.67 | SLC6A3 (0.44) | CYP2C19TSHRHRH1MEN1KMT2A |
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-2019067974-A1 | ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICALS COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF | MEDICAL PHARMACEUTICALS, INC. (US) | 2019-04-04 | — | — | WO | disclosed |