Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 10/20 | 0.56 |
| ▸ | CES1 | P23141 | 9/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29625356 | 0.82 | TSHR (0.52) | CES2CES1TSHRSRCHPGD | |
| SCHEMBL6208814 | 0.80 | TSHR (0.50) | CES2CES1TSHRSRCHPGD | |
| Benzil SCHEMBL422981 | 0.77 | CES2 (0.78) | CES2CES1TSHRHPGDALDH1A1 | |
| SCHEMBL42428 | 0.76 | TSHR (0.60) | CES2CES1TSHRSRCHPGD | |
| Benzene SCHEMBL28195988 | 0.76 | TSHR (0.60) | CES2CES1TSHRSRCHPGD | |
| SCHEMBL6334032 | 0.76 | TSHR (0.60) | CES2CES1TSHRSRCHPGD | |
| Benzil SCHEMBL4440009 | 0.76 | CES2 (0.67) | CES2CES1TSHRSRCHPGD | |
| SCHEMBL1576740 | 0.75 | TSHR (0.54) | CES2CES1TSHRSRCHPGD | |
| SCHEMBL6208806 | 0.75 | TSHR (0.48) | CES2CES1TSHRSRCHPGD | |
| SCHEMBL6208803 | 0.75 | TSHR (0.48) | CES2CES1TSHRSRCHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997048279-A1 | AGENTS WITH ANTIFUNGAL ACTIVITY AND METHODS OF USE THEREOF | UNIVERSITY OF ALBERTA (US) | 1997-12-24 | — | — | WO | claimed |