Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.36 |
| ▸ | PPARA | Q07869 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL413982 | 0.91 | PTGDR (0.39) | PTGDR2PTGDRNOD2NOD1ACLY | |
| SCHEMBL442516 | 0.89 | NR1H2 (0.40) | PTGDR2PTGDRNOD2NOD1HRH3 | |
| SCHEMBL17707489 | 0.81 | NOD2 (0.44) | PTGDR2PTGDRNOD2NOD1HRH3 | |
| SCHEMBL415416 | 0.73 | NOD2 (0.45) | PTGDR2PTGDRNOD2NOD1HRH3 | |
| SCHEMBL445020 | 0.71 | NOD2 (0.42) | PTGDR2PTGDRNOD2NOD1HRH3 | |
| SCHEMBL30270458 | 0.68 | PTGDR2 (0.49) | PTGDR2PTGDRNOD2NOD1PPARG | |
| SCHEMBL26213705 | 0.68 | PTGDR2 (0.49) | PTGDR2PTGDRNOD2NOD1PPARG | |
| SCHEMBL3560737 | 0.68 | PTGDR2 (0.53) | PTGDR2PTGDRNOD2NOD1ACLY | |
| SCHEMBL26213697 | 0.67 | PTGDR2 (0.51) | PTGDR2PTGDRNOD2NOD1ACLY | |
| SCHEMBL30270460 | 0.67 | PTGDR2 (0.51) | PTGDR2PTGDRNOD2NOD1ACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |
| EP-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | disclosed |