Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.32 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACACA | Q13085 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1128093 | 0.76 | ITGB3 (0.41) | TSHRSLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL23865693 | 0.76 | TSHR (0.30) | TSHR | |
| SCHEMBL1176768 | 0.75 | TSHR (0.47) | TSHRSLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL24310949 | 0.75 | TSHR (0.47) | TSHRSLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL6364461 | 0.74 | TAAR1 (0.31) | — | |
| SCHEMBL3834227 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL1251228 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL8469983 | 0.74 | L3MBTL1 (0.38) | TSHR | |
| Hydrochloric Acid SCHEMBL1184612 | 0.73 | TSHR (0.46) | TSHRSLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL29284007 | 0.73 | TAAR1 (0.30) | — |
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-0558603-B1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO CO (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5698569-A | Retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5622949-A | AIDS THERAPY | G. D. SEARLE & CO. (US) | 1997-04-22 | — | — | US | disclosed |
| US-5620977-A | HUMAN IMMUNODEFICIENCY VIRUS | G.D. SEARLE & CO. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5614522-A | SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS | G.D. SEARLE & CO. (US) | 1997-03-25 | — | — | US | disclosed |
| EP-0558673-B1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO CO (US) | 1996-04-17 | — | — | EP | disclosed |
| US-5475013-A | Inhibit human immunodeficiency virus protease | MONSANTO COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| EP-0558603-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| EP-0558673-A1 | RETROVIRAL PROTEASE INHIBITORS. | MONSANTO CO (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992008699-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008688-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |