Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11670898 | 0.89 | KDM4E (0.45) | KDM4EPOLBTSHRCYP1A2CYP2C19 | |
| SCHEMBL9177845 | 0.80 | TSHR (0.43) | KDM4ETSHRCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL10452437 | 0.78 | NPC1 (0.40) | KDM4EPOLBPTPN1SLC6A2SLC6A3 | |
| SCHEMBL8990316 | 0.78 | ALDH1A1 (0.39) | KDM4EPOLBCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8990313 | 0.76 | LMNA (0.40) | KDM4ETSHRCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL5330868 | 0.75 | KDM4E (0.48) | KDM4EPOLBTSHRCYP1A2CYP2C19 | |
| SCHEMBL3955750 | 0.75 | CYP2C19 (0.48) | KDM4EPOLBTSHRCYP1A2CYP2C19 | |
| SCHEMBL584498 | 0.75 | CYP2C19 (0.48) | KDM4EPOLBTSHRCYP1A2CYP2C19 | |
| SCHEMBL7723438 | 0.75 | TSHR (0.52) | KDM4EPOLBTSHRCYP1A2CYP2C19 | |
| SCHEMBL1092597 | 0.74 | KIF11 (0.54) | KDM4EPOLBTSHRCYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255540-B1 | Methods for producing two-substituted glycerols having various levels of protection | THE UNIVERSITY OF TOLEDO | 2001-07-03 | — | — | US | disclosed |
| US-5500484-A | FROM ALDEHYDE | KURARAY CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |
| EP-0641757-A1 | 2-Aryl-1,3-propanediol and dioxane derivatives and their preparation | KURARAY CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |