Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL23864843 | 0.87 | PSEN1 (0.38) | PSMB5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL23864838 | 0.79 | CTSL (0.54) | PSMB5HDAC1HDAC2HDAC3HDAC8 | |
| SCHEMBL23314541 | 0.78 | TDP1 (0.30) | TDP1 | |
| SCHEMBL23314837 | 0.78 | TDP1 (0.30) | TDP1 | |
| SCHEMBL23314776 | 0.75 | RET (0.34) | — | |
| SCHEMBL23662477 | 0.75 | TDP1 (0.35) | TDP1 | |
| SCHEMBL23662406 | 0.71 | PSEN1 (0.35) | PSMB5PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL23736267 | 0.70 | SIGMAR1 (0.33) | TDP1 | |
| SCHEMBL24490416 | 0.69 | — | — | |
| SCHEMBL23864847 | 0.67 | — | — |
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-4008721-A1 | SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS | Millennium Pharmaceuticals, Inc. (US) | 2022-06-08 | — | — | EP | disclosed |