Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269135 | 0.88 | KDM1A (0.43) | TDP1ALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL9384798 | 0.80 | MAOA (0.42) | TDP1ALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL12144581 | 0.78 | KDM1A (0.48) | TDP1KDM1AMAOAMAOBOPRM1 | |
| SCHEMBL13082818 | 0.76 | OPRM1 (0.44) | TDP1ALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL7270639 | 0.76 | KDM1A (0.38) | TDP1ALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL7404874 | 0.75 | TSHR (0.45) | TDP1KDM1AMAOAMAOBLMNA | |
| SCHEMBL879889 | 0.73 | UGCG (0.43) | TDP1OPRM1TSHR | |
| SCHEMBL8558732 | 0.73 | TSHR (0.47) | ALDH1A1LMNAOPRM1TSHR | |
| SCHEMBL20714085 | 0.73 | ICMT (0.44) | ALDH1A1LMNA | |
| SCHEMBL22013858 | 0.72 | GAA (0.41) | ALDH1A1KDM1AMAOAMAOBOPRM1 |
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 5 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 |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |