Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 7/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PLA2G5 | P39877 | 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 | |
|---|---|---|---|---|
| SCHEMBL2690899 | 0.81 | CYP2D6 (0.55) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL18534234 | 0.81 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL23514208 | 0.80 | CYP2D6 (0.46) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4797352 | 0.80 | CYP2D6 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL607503 | 0.79 | CYP2D6 (0.53) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1260631 | 0.79 | CYP2D6 (0.53) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL96701 | 0.79 | CYP2D6 (0.49) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5468494 | 0.79 | CYP2D6 (0.53) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7324935 | 0.78 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2833595 | 0.78 | CYP2D6 (0.32) | CYP2D6 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1095022-A1 | RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002862-A1 | RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-01-20 | — | — | WO | disclosed |
| EP-0861249-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | disclosed |
| EP-0813519-A1 | SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-12-29 | — | — | EP | disclosed |
| WO-1997018205-A1 | SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | disclosed |
| US-5602175-A | HYDROXYETHYLAMINE COMPOUNDS; USEFUL IN TREATMENT OF INFECTIONS CAUSED BY THE HUMAN IMMUNODEFICIENCY VIRUS | G.D. SEARLE & CO. (US) | 1997-02-11 | — | — | US | disclosed |
| US-5510487-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0666843-A1 | SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACIDS USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-08-16 | — | — | EP | disclosed |
| WO-1994004493-A1 | SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | disclosed |
| EP-0558603-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008688-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |