Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 2/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.34 |
| ▸ | ACE | P12821 | 2/20 | 0.34 |
| ▸ | CPA1 | P15085 | 2/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL17272823 | 0.88 | BDKRB2 (0.39) | BDKRB2KLKB1PLGHDAC3HDAC11 | |
| SCHEMBL18722952 | 0.88 | BDKRB2 (0.39) | BDKRB2KLKB1PLGHDAC3HDAC11 | |
| SCHEMBL20966573 | 0.81 | SPHK1 (0.41) | KLKB1 | |
| SCHEMBL22698346 | 0.78 | SPHK1 (0.35) | KLKB1PLG | |
| SCHEMBL20272988 | 0.77 | SPHK1 (0.51) | — | |
| SCHEMBL21949981 | 0.74 | SIRT2 (0.36) | KLKB1 | |
| SCHEMBL20328120 | 0.74 | CA2 (0.44) | HDAC3HDAC11HDAC6HDAC1HDAC2 | |
| SCHEMBL18857741 | 0.72 | KMT2A (0.41) | BDKRB2GLSMEN1KMT2A | |
| SCHEMBL16770343 | 0.71 | SIRT1 (0.39) | — | |
| SCHEMBL16392367 | 0.70 | SPHK1 (0.40) | KLKB1 |
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-3145934-B1 | SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR | PFIZER (US) | 2020-11-11 | — | — | EP | disclosed |
| US-9617293-B2 | Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR | PFIZER INC. (US) | 2017-04-11 | — | — | US | disclosed |