Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 7/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3183775 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3201840 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3190130 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL9321240 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3201268 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL11487812 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3191168 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3202798 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3198233 | 0.88 | THRB (0.49) | THRBTHRAMCHR1ALDH1A1CYP3A4 | |
| SCHEMBL3198273 | 0.86 | ALDH1A1 (0.47) | THRBTHRAMCHR1MMP13ALDH1A1 |
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-0546113-A1 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-16 | — | — | EP | claimed |