Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 4/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.42 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.42 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373557 | 1.00 | F2 (0.51) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL30718534 | 0.88 | F2 (0.49) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL30718508 | 0.87 | F2 (0.48) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL30718544 | 0.86 | F2 (0.47) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL29913751 | 0.85 | F2 (0.52) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL29913761 | 0.84 | F2 (0.48) | F2ALDH1A1CA2SPPL2A | |
| SCHEMBL29913816 | 0.84 | F2 (0.46) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL30718528 | 0.83 | F2 (0.45) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL29913880 | 0.81 | F2 (0.49) | F2LAP3ANPEPRNPEPDNPEP | |
| SCHEMBL8178414 | 0.79 | F2 (0.54) | F2ALDH1A1CA12CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113277991-B | Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug | 中国医学科学院医药生物技术研究所 | 2022-07-12 | — | — | CN | disclosed |
| CN-1898248-B | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD | 2011-08-17 | — | — | CN | disclosed |
| CN-1898248-A | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD (IE) | 2007-01-17 | — | — | CN | disclosed |
| EP-1725566-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | Tibotec Pharmaceuticals Ltd. (IE) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005063770-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2005-07-14 | — | — | WO | disclosed |