Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | BAX | Q07812 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL76698 | 0.96 | LTA4H (0.50) | LTA4HTSHRNR1H2BAXMAOA | |
| Water SCHEMBL27530954 | 0.93 | LTA4H (0.48) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL28770243 | 0.93 | LTA4H (0.48) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL5998888 | 0.90 | MAOB (0.47) | LTA4HTSHRNR1H2BAXMEN1 | |
| SCHEMBL28088303 | 0.88 | LTA4H (0.42) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL9672822 | 0.88 | GSTP1 (0.37) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL27495028 | 0.88 | LTA4H (0.42) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL2090470 | 0.83 | LTA4H (0.54) | LTA4HCA1CA2CA9MEN1 | |
| SCHEMBL1532042 | 0.83 | ALDH1A1 (0.39) | LTA4HSOS1MEN1KMT2A | |
| SCHEMBL1532077 | 0.83 | MAPT (0.42) | LTA4HTSHRNR1H2BAXMAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726195-A | Aminoacyl adenylate mimics as novel antimicrobial and antiparasitic agents | CUBIST PHARMACEUTICALS, INC. (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1997005132-A1 | AMINOACYL ADENYLATE MIMICS AS NOVEL ANTIMICROBIAL AND ANTIPARASITIC AGENTS | CUBIST PHARMACEUTICALS, INC. (US) | 1997-02-13 | — | — | WO | disclosed |