Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3019329 | 0.93 | PTPN11 (0.53) | PTPN11APPCA1CA2TDP1 | |
| SCHEMBL69268 | 0.90 | PTPN11 (0.69) | PTPN11CA1CA2TDP1CA12 | |
| SCHEMBL1535874 | 0.89 | PTPN11 (0.63) | PTPN11CA1CA2TDP1CA12 | |
| SCHEMBL42732 | 0.88 | CA1 (0.64) | CA1CA2TDP1CA12CA7 | |
| Hydrochloric Acid SCHEMBL8359634 | 0.86 | CA1 (0.61) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL28108955 | 0.86 | CA1 (0.61) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL8272575 | 0.85 | PTPN11 (0.58) | PTPN11CA1CA2TDP1CA12 | |
| SCHEMBL15235703 | 0.83 | MAPT (0.54) | PTPN11APPCA1CA2TDP1 | |
| SCHEMBL15235704 | 0.83 | MAPT (0.54) | PTPN11APPCA1CA2TDP1 | |
| SCHEMBL16140276 | 0.83 | TDP1 (0.77) | PTPN11CA1CA2TDP1CA12 |
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-3448375-B1 | BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME | UNIV DUKE (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |