Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.63 |
| ▸ | USP2 | O75604 | 5/20 | 0.61 |
| ▸ | ATM | Q13315 | 2/20 | 0.61 |
| ▸ | CFTR | P13569 | 1/20 | 0.61 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.61 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 7/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | PLEC | Q15149 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21648586 | 0.85 | ABCB1 (0.66) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL12747272 | 0.85 | ABCB1 (0.66) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL16425659 | 0.85 | ABCB1 (0.63) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL4567588 | 0.83 | ABCB1 (0.60) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL3506602 | 0.82 | ABCB1 (0.62) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL10013899 | 0.82 | ABCB1 (0.62) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL458205 | 0.81 | ABCB1 (0.77) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL16425651 | 0.81 | ABCB1 (0.58) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL21648620 | 0.80 | ABCB1 (0.57) | ABCB1USP2ATMCFTRPAX8 | |
| SCHEMBL23309754 | 0.80 | ABCB1 (0.76) | ABCB1USP2ATMCFTRPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020019289-A1 | NOVEL RHODAMINE DYE AND APPLICATION THEREOF AGAINST PATHOGENIC BACTERIA | 华东理工大学 | 2020-01-30 | — | — | WO | disclosed |