Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15984349 | 0.86 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27885874 | 0.86 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21320780 | 0.83 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1964905 | 0.83 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL318355 | 0.83 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3624697 | 0.83 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL26109316 | 0.81 | CYP2D6 (0.46) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL544794 | 0.81 | CYP2D6 (0.46) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL31301962 | 0.80 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2331892 | 0.80 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1039596-A | Preparation method in conjunction with the peptide of retroviral Protease | SMITHKLINE BECKMAN CORP (US) | 1990-02-14 | — | — | CN | disclosed |
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |