Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | WEE1 | P30291 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4921058 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP11B2CYP2A6KIF11 | |
| SCHEMBL28442582 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDALKMAP4K4KDM4E | |
| SCHEMBL4936406 | 0.77 | CYP11B2 (0.44) | ALDH1A1HPGDCYP11B2CYP2A6KIF11 | |
| SCHEMBL4910712 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP11B2CYP2A6KIF11 | |
| SCHEMBL5355750 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP11B2GRM2CYP2A6 | |
| SCHEMBL4919741 | 0.73 | PDE3B (0.46) | ALDH1A1HPGDCYP11B2CYP2A6KIF11 | |
| SCHEMBL4923428 | 0.72 | KIF11 (0.46) | ALDH1A1HPGDCYP11B2CYP2A6KIF11 | |
| SCHEMBL4911844 | 0.71 | AR (0.40) | ALDH1A1HPGDCYP2A6KIF11KDM4E | |
| SCHEMBL3284250 | 0.71 | HAVCR2 (0.36) | ALDH1A1HPGDKDM4EGALR3GAA | |
| SCHEMBL14531566 | 0.70 | ALDH1A1 (0.41) | ALDH1A1CYP11B2GRM2CYP2A6KIF11 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| US-20080176906-A1 | Substituted Pyrrole Derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-24 | — | — | US | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| EP-1824841-A1 | SUBSTITUTED PYRROLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006064944-A1 | SUBSTITUTED PYRROLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | 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-20080176906-A1 | Substituted Pyrrole Derivative | AR, NR5A1, MC2R | ALDH1A1 408/4885HPGD 1594/4885CYP11B2 81/4885 |
“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.