Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428484 | 0.87 | FPR1 (0.35) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL15548710 | 0.87 | FPR1 (0.35) | CYP3A4CYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL3918513 | 0.85 | CA1 (0.43) | CYP3A4CYP1A2TSHRCA12CA1 | |
| SCHEMBL15428486 | 0.84 | MAOA (0.47) | CA12CA1CA2CA9 | |
| SCHEMBL6242073 | 0.83 | FFAR1 (0.43) | DEGS1 | |
| SCHEMBL5989637 | 0.77 | S1PR1 (0.48) | CA2 | |
| SCHEMBL16229142 | 0.76 | DEGS1 (0.50) | CYP3A4CYP1A2IDO1DEGS1SLC6A4 | |
| SCHEMBL1100407 | 0.76 | DEGS1 (0.50) | CYP3A4CYP1A2IDO1DEGS1SLC6A4 | |
| SCHEMBL15430481 | 0.76 | DEGS1 (0.50) | CYP3A4CYP1A2IDO1DEGS1SLC6A4 | |
| SCHEMBL15430483 | 0.76 | DEGS1 (0.50) | CYP3A4CYP1A2IDO1DEGS1SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060257987-A1 | Ppar modulators | ELI LILLY AND COMPANY | 2006-11-16 | — | — | US | disclosed |
| EP-1660428-A1 | PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005019151-A1 | PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-03-03 | — | — | WO | disclosed |