Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | ACR | P10323 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10778983 | 0.96 | PRSS1 (0.40) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL10776688 | 0.96 | PRSS1 (0.42) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL10779026 | 0.96 | PRSS1 (0.43) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL10776606 | 0.95 | PRSS1 (0.37) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL10781664 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL10781970 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL10779025 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL9840026 | 0.86 | ALDH1A1 (0.36) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL11099221 | 0.86 | ALDH1A1 (0.36) | PRSS1ACRALDH1A1HPGDNPC1 | |
| SCHEMBL10532006 | 0.86 | ALDH1A1 (0.36) | PRSS1ACRALDH1A1HPGDNPC1 |
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-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |