Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL21189675 | 0.95 | CYP3A4 (0.39) | S1PR1S1PR5CYP3A4CYP2C9PDK2 | |
| SCHEMBL22737899 | 0.86 | CYP3A4 (0.42) | S1PR1S1PR5CYP3A4CYP2C9PDK2 | |
| SCHEMBL21189677 | 0.84 | CYP3A4 (0.46) | S1PR1S1PR5CYP3A4CYP2C9PDK2 | |
| SCHEMBL22738047 | 0.81 | ESR1 (0.41) | CYP3A4CYP2C9PDK2ESR1ESR2 | |
| SCHEMBL21189811 | 0.79 | NPC1 (0.43) | ESR1ESR2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL21189674 | 0.76 | ESR1 (0.47) | CYP3A4ESR1ESR2LMNAMAPT | |
| SCHEMBL22737890 | 0.76 | ESR1 (0.36) | CYP3A4ESR1ESR2LMNASMN1; SMN2 | |
| SCHEMBL21189414 | 0.75 | KIF11 (0.40) | S1PR1S1PR5CYP3A4CYP2C9PDK2 | |
| SCHEMBL23082034 | 0.75 | ESR1 (0.43) | S1PR1S1PR5CYP3A4CYP2C9PDK2 | |
| SCHEMBL21189630 | 0.74 | NPC1 (0.40) | ESR1ESR2KIF11LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3744710-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2020-12-02 | — | — | EP | disclosed |