Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR27 | Q9NS67 | 2/20 | 0.50 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 2/20 | 0.41 |
| ▸ | USP28 | Q96RU2 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382627 | 0.90 | NR3C2 (0.48) | GPR27AVPR2NR3C2CYP2C19ALDH1A1 | |
| SCHEMBL2358001 | 0.86 | NR3C2 (0.60) | GPR27AVPR2NR3C2 | |
| SCHEMBL2541697 | 0.81 | NR3C2 (0.54) | GPR27AVPR2NR3C2ALDH1A1GAA | |
| SCHEMBL1384146 | 0.76 | NR3C2 (0.59) | GPR27AVPR2NR3C2ALDH1A1RXFP1 | |
| SCHEMBL2359932 | 0.76 | PRKAG1 (0.44) | — | |
| SCHEMBL2546812 | 0.76 | NR4A2 (0.45) | ALDH1A1SLC6A3LMNA | |
| SCHEMBL1384488 | 0.75 | AVPR2 (0.45) | GPR27AVPR2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL2357925 | 0.74 | NR3C2 (0.78) | GPR27AVPR2NR3C2CYP2C19ALDH1A1 | |
| SCHEMBL2541534 | 0.74 | NR3C2 (0.78) | GPR27AVPR2NR3C2CYP2C19ALDH1A1 | |
| SCHEMBL2547004 | 0.72 | GPR27 (0.51) | GPR27AVPR2NR3C2CYP2C19ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349997-B1 | ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES | EXELIXIS INC (US) | 2015-08-12 | — | — | EP | disclosed |
| EP-2349997-B1 | ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES | EXELIXIS INC (US) | 2015-08-12 | — | — | EP | disclosed |
| US-8487117-B2 | Atropisomers of (hydroxyalkyl) pyrrole derivatives | EXELIXIS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8487117-B2 | Atropisomers of (hydroxyalkyl) pyrrole derivatives | EXELIXIS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8487117-B2 | Atropisomers of (hydroxyalkyl) pyrrole derivatives | EXELIXIS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20110263673-A1 | Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| US-20110263673-A1 | Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| US-20110263673-A1 | Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| CN-102186817-A | Atropisomers of (hydroxyalkyl) pyrrole derivatives | EXELIXIS INC | 2011-09-14 | — | — | CN | disclosed |
| WO-2010042622-A1 | ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES | EXELIXIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110263673-A1 | Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives | ADRB3, HSD11B1, AKR1C3 | GPR27 1241/4885AVPR2 68/4885NR3C2 62/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.