Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.61 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811651 | 0.89 | CYP1A1 (0.60) | TLR9CYP19A1PTGS2NFE2L2TRPA1 | |
| SCHEMBL5740241 | 0.85 | NFE2L2 (0.52) | TLR9CYP19A1PTGS2NFE2L2ALDH1A1 | |
| SCHEMBL5740242 | 0.85 | NFE2L2 (0.52) | TLR9CYP19A1PTGS2NFE2L2ALDH1A1 | |
| SCHEMBL3054759 | 0.82 | TLR9 (0.76) | TLR9CYP19A1PTGS2NFE2L2PTGS1 | |
| SCHEMBL3054757 | 0.82 | TLR9 (0.76) | TLR9CYP19A1PTGS2NFE2L2PTGS1 | |
| SCHEMBL11212736 | 0.81 | NFE2L2 (0.61) | TLR9CYP19A1PTGS2NFE2L2ALDH1A1 | |
| SCHEMBL11212737 | 0.81 | NFE2L2 (0.61) | TLR9CYP19A1PTGS2NFE2L2ALDH1A1 | |
| SCHEMBL9497290 | 0.80 | CYP19A1 (0.61) | TLR9CYP19A1PTGS2NFE2L2TRPA1 | |
| SCHEMBL9497288 | 0.80 | CYP19A1 (0.61) | TLR9CYP19A1PTGS2NFE2L2TRPA1 | |
| SCHEMBL6588022 | 0.80 | ALDH1A1 (0.57) | TLR9CYP19A1PTGS2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839806-B1 | Substituted tricyclics | LILLY CO ELI (US) | 2003-07-09 | — | — | EP | disclosed |
| WO-1998018464-A1 | SUBSTITUTED TRICYCLICS | ELI LILLY AND COMPANY (US) | 1998-05-07 | — | — | WO | disclosed |
| EP-0839806-A1 | Substituted tricyclics | ELI LILLY AND COMPANY (US) | 1998-05-06 | — | — | EP | disclosed |