Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699749 | 0.92 | CYP3A4 (0.50) | CYP3A4PSIP1ARGRM5KMT2A | |
| SCHEMBL10271608 | 0.89 | CYP3A4 (0.53) | CYP3A4PSIP1GRM5KMT2ALMNA | |
| SCHEMBL1699610 | 0.89 | AR (0.38) | CYP3A4ARGRM5KMT2AKDM4E | |
| SCHEMBL1699506 | 0.88 | CYP3A4 (0.52) | CYP3A4PSIP1KMT2ALMNA | |
| SCHEMBL1699493 | 0.88 | CYP3A4 (0.52) | CYP3A4PSIP1GRM5KMT2ALMNA | |
| SCHEMBL1699725 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1GRM5KMT2ALMNA | |
| SCHEMBL1699716 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1GRM5KMT2ALMNA | |
| SCHEMBL10272021 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1GRM5KMT2ATP53 | |
| SCHEMBL1699586 | 0.85 | CYP3A4 (0.49) | CYP3A4PSIP1GRM5KMT2ALMNA | |
| SCHEMBL1699681 | 0.84 | CYP3A4 (0.48) | CYP3A4PSIP1ARKMT2AESR1 |
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-2588450-A1 | NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS | Gilead Sciences, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003497-A1 | NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |