Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL6471673 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL6474059 | 0.80 | TAAR1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6472071 | 0.76 | ALDH1A1 (0.40) | CES2CES1ALDH1A1MAPTUSP2 | |
| SCHEMBL6472226 | 0.74 | CES2 (0.42) | CYP1A2CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL6475416 | 0.73 | CES2 (0.42) | CYP1A2CYP2D6CYP2C19CES2CES1 | |
| SCHEMBL30561548 | 0.72 | AKR1B1 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19MAPT | |
| SCHEMBL314806 | 0.72 | AKR1B1 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19MAPT | |
| SCHEMBL8746636 | 0.69 | AKR1B1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL3246425 | 0.69 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19CES2 | |
| SCHEMBL6472045 | 0.69 | CES1 (0.59) | CYP2C9CES2CES1MAPK1KDM4E |
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-2005109041-A1 | COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES | MEDICAL POLYMERS LIMITED (GB) | 2005-11-17 | — | — | WO | disclosed |