Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.44 |
| ▸ | PYGL | P06737 | 7/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7612808 | 1.00 | PELI1 (0.44) | PELI1PYGLPTGS2BACE1GPR183 | |
| SCHEMBL7003926 | 0.84 | KDM4E (0.53) | PYGLBACE1MAPTCYP3A4CYP2C9 | |
| SCHEMBL7003924 | 0.84 | KDM4E (0.53) | PYGLBACE1MAPTCYP3A4CYP2C9 | |
| SCHEMBL5579317 | 0.84 | KDM4E (0.51) | PELI1PTGS2BACE1MAPTCYP1A2 | |
| SCHEMBL5380481 | 0.84 | PYGL (0.60) | PYGLPTGS2GPR183MAPTCYP1A2 | |
| SCHEMBL5380483 | 0.84 | PYGL (0.60) | PYGLPTGS2GPR183MAPTCYP1A2 | |
| Hydrochloric Acid SCHEMBL5886161 | 0.82 | PYGL (0.58) | PYGLPTGS2MAPTCYP1A2CYP3A4 | |
| SCHEMBL7559912 | 0.81 | TUBB4A (0.46) | PELI1PYGLPTGS2BACE1TP53 | |
| SCHEMBL43505 | 0.80 | PYGL (0.45) | PELI1PYGLPTGS2BACE1 | |
| SCHEMBL43506 | 0.80 | PYGL (0.45) | PELI1PYGLPTGS2BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100495-A4 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORP (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1100495-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006153-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |