Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL56856 | 0.93 | EPHX1 (0.53) | BTKEPHX1CTSKGAAPOLB | |
| Water SCHEMBL27795194 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGAAPOLB | |
| Ammonia Solution, Strong SCHEMBL15021680 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGAAPOLB | |
| Hydrochloric Acid SCHEMBL4158527 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGAAPOLB | |
| Alcohol SCHEMBL28064671 | 0.87 | BTK (0.48) | BTKEPHX1CTSKGAAPOLB | |
| Acetic Acid Methyl Ester SCHEMBL8483324 | 0.87 | BTK (0.48) | BTKEPHX1CTSKGAAPOLB | |
| SCHEMBL555051 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| SCHEMBL14209134 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| SCHEMBL14209088 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| Methyl Carbamate SCHEMBL28171804 | 0.86 | BTK (0.47) | BTKEPHX1CTSKGAAPOLB |
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-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |