Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2784566 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL27951011 | 0.82 | CYP1A2 (0.39) | TSHRCYP2D6CYP2C19HIF1AENPEP | |
| SCHEMBL8473650 | 0.80 | TSHR (0.38) | ALDH1A1TSHRTP53CYP2D6CYP2C19 | |
| SCHEMBL27969796 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL4206119 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL17407606 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL28301200 | 0.77 | TSHR (0.40) | ALDH1A1TSHRTP53SLC7A5CYP2D6 | |
| SCHEMBL5541229 | 0.75 | — | — | |
| SCHEMBL125061 | 0.75 | — | — | |
| SCHEMBL209810 | 0.75 | — | — |
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 13 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-0731088-A2 | Retroviral protease inhibitors | MONSANTO COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5510487-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5482947-A | ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS | TALLEY JOHN J (US) | 1996-01-09 | — | — | US | disclosed |
| US-5463104-A | Treating human immunodeficiency virus infection | G. D. SEARLE & CO. (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0666841-A1 | SUCCINOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS. | SEARLE & CO (US) | 1995-08-16 | — | — | EP | disclosed |
| EP-0558603-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| EP-0558630-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1993-09-08 | — | — | EP | disclosed |
| EP-0554400-A1 | RETROVIRAL PROTEASE INHIBITORS. | MONSANTO CO (US) | 1993-08-11 | — | — | EP | disclosed |
| WO-1992008701-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008698-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 |