Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | YAP1 | P46937 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9015671 | 0.84 | POLB (0.42) | CYP3A4CYP2C19GAATSHRALOX15 | |
| SCHEMBL8762105 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL9015589 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL7842880 | 0.79 | PKM (0.52) | TSHRALOX15ATMALDH1A1 | |
| SCHEMBL8762050 | 0.77 | GPR119 (0.44) | TSHRALOX15ATM | |
| SCHEMBL26523199 | 0.73 | SSTR4 (0.48) | ALDH1A1HTTL3MBTL1 | |
| SCHEMBL7841164 | 0.73 | POLB (0.45) | ALDH1A1L3MBTL1 | |
| SCHEMBL7905787 | 0.72 | FNTA (0.55) | — | |
| SCHEMBL7905789 | 0.72 | FNTA (0.55) | — | |
| SCHEMBL7842738 | 0.72 | POLB (0.45) | TSHRALOX15ATMALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5576313-A | ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 1996-11-19 | — | — | US | disclosed |