Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL19655008 | 0.89 | ABCB1 (0.42) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19655011 | 0.88 | AR (0.39) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19494744 | 0.85 | SOS1 (0.44) | ABCB1ATMPOLBMAPTCDC25B | |
| SCHEMBL19655007 | 0.82 | ABCB1 (0.40) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19494775 | 0.81 | ABCB1 (0.42) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19494842 | 0.81 | AHR (0.37) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19655006 | 0.80 | PTGS2 (0.40) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL18854257 | 0.79 | ABCB1 (0.36) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL13609836 | 0.79 | USP2 (0.52) | ABCB1USP2CFTRPAX8ATM | |
| SCHEMBL19495000 | 0.79 | SCN1A (0.36) | ABCB1USP2CFTRPAX8ATM |
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-3235876-A1 | QUENCHER | Wako Pure Chemical Industries, Ltd. (JP) | 2017-10-25 | — | — | EP | disclosed |