Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.55 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.53 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297633 | 0.91 | PTGDR2 (0.63) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL368071 | 0.87 | SLC6A4 (0.66) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL31644088 | 0.87 | SLC6A4 (0.66) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL7898169 | 0.85 | RAB9A (0.59) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL30835101 | 0.85 | RAB9A (0.59) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL5690733 | 0.85 | PTGER1 (0.53) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL28286296 | 0.85 | CCR5 (0.55) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL30835001 | 0.85 | CCR5 (0.55) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL3724105 | 0.82 | MEN1 (0.59) | CCR5SLC6A4MAOBALDH1A1USP28 | |
| SCHEMBL3713861 | 0.82 | CCR5 (0.54) | CCR5SLC6A4MAOBALDH1A1USP28 |
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-2015127941-A1 | QUALITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR) OF NEW ORGANIC COMPOUNDS SYNTHESIZED BY STILLE CROSS COUPLING REACTION WITH ANTITUMOR ACTIVITY | ABOU ELSAOUD YASMINE MOHAMED HASHEM EZZ EL DIN (EG) | 2015-09-03 | — | — | WO | disclosed |