Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL381019 | 0.84 | ALDH1A1 (0.65) | ALDH1A1TDP1RAB9APOLBTSHR | |
| SCHEMBL18625926 | 0.79 | TDP1 (0.55) | ALDH1A1TDP1RAB9AKDM4EPOLB | |
| SCHEMBL7351514 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TDP1RAB9AKDM4EGAA | |
| SCHEMBL28367951 | 0.76 | TDP1 (0.60) | ALDH1A1TDP1RAB9AKDM4EGAA | |
| SCHEMBL31620922 | 0.76 | MAOB (0.50) | ALDH1A1TDP1MAPK1L3MBTL1KMT2A | |
| SCHEMBL1900241 | 0.74 | TDP1 (0.50) | ALDH1A1TDP1RAB9AKDM4EGAA | |
| SCHEMBL11403328 | 0.74 | RAB9A (0.56) | ALDH1A1TDP1RAB9AKDM4ETSHR | |
| SCHEMBL29878507 | 0.73 | TDP1 (0.56) | ALDH1A1TDP1RAB9APOLBTSHR | |
| SCHEMBL6322994 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1RAB9APOLBTSHR | |
| SCHEMBL3881721 | 0.73 | THRA (0.47) | ALDH1A1TDP1POLBTHRATHRB |
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 |