Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28149403 | 0.88 | CYP2C19 (0.64) | CYP2C19SMN1; SMN2CYP3A4TSHRALDH1A1 | |
| SCHEMBL2150400 | 0.88 | SMN1; SMN2 (0.72) | CYP2C19SMN1; SMN2ALDH1A1TDP1LMNA | |
| SCHEMBL3474625 | 0.87 | CYP3A4 (0.66) | CYP2C19SMN1; SMN2CYP3A4TSHRALDH1A1 | |
| SCHEMBL11851141 | 0.85 | ALDH1A1 (0.47) | CYP2C19SMN1; SMN2CYP3A4TSHRALDH1A1 | |
| SCHEMBL11398356 | 0.82 | ALDH1A1 (0.67) | SMN1; SMN2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL23501799 | 0.81 | CYP2C19 (0.64) | CYP2C19SMN1; SMN2ALDH1A1CES2CES1 | |
| Fluoride SCHEMBL31047199 | 0.80 | ALDH1A1 (0.64) | SMN1; SMN2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL27637440 | 0.80 | ALDH1A1 (0.53) | SMN1; SMN2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL6854005 | 0.79 | TSHR (0.49) | CYP2C19SMN1; SMN2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1101448 | 0.77 | CYP2C19 (0.72) | CYP2C19SMN1; SMN2ALDH1A1BLMSRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189604-A | Production of a polycarbonate with limited metal residuals | SABIC INNOVATIVE PLASTICS IP | 2015-12-23 | — | — | CN | disclosed |