Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.60 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.60 |
| ▸ | VKORC1 | Q9BQB6 | 4/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945266 | 0.93 | NQO1 (0.61) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945547 | 0.90 | NQO1 (0.55) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945572 | 0.90 | NQO1 (0.55) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945393 | 0.90 | NPC1 (0.59) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8934490 | 0.90 | VKORC1 (0.68) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945405 | 0.87 | VKORC1 (0.50) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8934599 | 0.87 | VKORC1 (0.52) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945691 | 0.87 | VKORC1 (0.52) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945441 | 0.87 | VKORC1 (0.67) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8945418 | 0.86 | NQO1 (0.62) | NQO1ALDH1A1LMNATP53TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758327-B1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | UPJOHN CO (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| US-5852195-A | Pyranone compounds useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| US-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |