Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9826744 | 0.86 | TLR9 (0.80) | TLR9PTGS2PTGS1CYP1A2CYP1A1 | |
| SCHEMBL9826746 | 0.86 | TLR9 (0.80) | TLR9PTGS2PTGS1CYP1A2CYP1A1 | |
| SCHEMBL17988688 | 0.81 | PTGS2 (0.49) | TLR9PTGS2PTGS1CYP19A1MAPT | |
| SCHEMBL17988690 | 0.80 | PTGS2 (0.52) | TLR9PTGS2PTGS1CYP19A1MAPT | |
| SCHEMBL6721800 | 0.79 | TLR9 (0.71) | TLR9PTGS2PTGS1CYP1A2CYP1A1 | |
| SCHEMBL10707792 | 0.78 | CYP19A1 (0.59) | PTGS2PTGS1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL13018896 | 0.77 | PTGS2 (0.78) | TLR9PTGS2PTGS1CYP1A2CYP1A1 | |
| SCHEMBL1005735 | 0.76 | PTGS2 (0.78) | TLR9PTGS2PTGS1NFE2L2CYP19A1 | |
| SCHEMBL1005734 | 0.76 | PTGS2 (0.78) | TLR9PTGS2PTGS1NFE2L2CYP19A1 | |
| SCHEMBL4733440 | 0.75 | PTGS2 (1.00) | TLR9PTGS2PTGS1CYP1A2CYP1A1 |
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-9409859-B2 | Substituted diphenyl derivatives | CREATIVE THERAPEUTICS GMBH (DE) | 2016-08-09 | — | — | US | disclosed |