Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 4/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL185769 | 0.76 | SLC6A2 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL9204337 | 0.76 | TP53 (0.52) | CYP1A2ALDH1A1KIF11 | |
| SCHEMBL8973 | 0.76 | KIF11 (0.48) | CYP1A2CYP2C9CYP2C19PTPN1ALDH1A1 | |
| SCHEMBL5872338 | 0.74 | IDO1 (0.37) | ALDH1A1TSHRCETPKIF11 | |
| Ammonia Solution, Strong SCHEMBL29253660 | 0.74 | SLC6A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL23726528 | 0.73 | KIF11 (0.46) | CYP1A2CYP2C9CYP2C19PTPN1ALDH1A1 | |
| Bromide SCHEMBL28557682 | 0.73 | KIF11 (0.46) | CYP1A2CYP2C9CYP2C19PTPN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28556207 | 0.73 | KIF11 (0.46) | CYP1A2CYP2C9CYP2C19PTPN1ALDH1A1 | |
| SCHEMBL7670360 | 0.73 | ESR1 (0.38) | CYP1A2CYP2C9CYP2C19PTPN1ALDH1A1 | |
| SCHEMBL15959778 | 0.73 | TAAR1 (0.50) | CYP1A2ALDH1A1TSHRKIF11 |
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-5556821-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |