Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.52 |
| ▸ | CASP5 | P51878 | 3/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 2/20 | 0.43 |
| ▸ | SORD | Q00796 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18098559 | 0.87 | CASP1 (0.66) | CASP1CASP5HRH3ACHEALDH1A1 | |
| SCHEMBL1091086 | 0.82 | CASP1 (0.71) | CASP1CASP5HRH3ACHEALDH1A1 | |
| SCHEMBL3960913 | 0.74 | HRH3 (0.65) | CASP1CASP5HRH3ACHEALDH1A1 | |
| SCHEMBL8357217 | 0.73 | ALDH1A1 (0.82) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL9074994 | 0.72 | ALDH1A1 (0.58) | CASP1CASP5ACHEALDH1A1TSHR | |
| SCHEMBL1090446 | 0.70 | CXCR4 (0.64) | CASP1CASP5HRH3ACHENPC1 | |
| SCHEMBL8111511 | 0.68 | HTT (0.77) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL1876523 | 0.67 | MEN1 (0.87) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL10848170 | 0.67 | CASP1 (0.75) | CASP1CASP5HRH3TSHRNPC1 | |
| SCHEMBL6293432 | 0.67 | SORD (0.57) | CASP1CASP5HRH3ACHEALDH1A1 |
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-3274345-B1 | NEW TOLL-LIKE RECEPTOR 9 ANTAGONISTS | FRAUNHOFER GES FORSCHUNG (DE) | 2019-09-25 | — | — | EP | disclosed |