Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4915366 | 0.88 | CYP11B2 (0.42) | CYP2A6CYP11B2KDM4EHPGDALDH1A1 | |
| SCHEMBL4921058 | 0.80 | ALDH1A1 (0.45) | CYP2A6CYP11B2KDM4EHPGDALDH1A1 | |
| SCHEMBL5361548 | 0.78 | KDM4E (0.44) | CYP2A6CYP11B2KDM4EHPGDALDH1A1 | |
| SCHEMBL14154900 | 0.78 | PDE3B (0.40) | KDM4EHPGDALDH1A1PDE3BPDE3A | |
| SCHEMBL4919741 | 0.74 | PDE3B (0.46) | CYP2A6CYP11B2HPGDALDH1A1TSHR | |
| SCHEMBL5369669 | 0.73 | KIF11 (0.46) | CYP2A6CYP11B2KDM4EHPGDALDH1A1 | |
| SCHEMBL8210361 | 0.73 | KDM4E (0.75) | CYP11B2KDM4EHPGDALDH1A1GALR3 | |
| SCHEMBL5355750 | 0.73 | ALDH1A1 (0.43) | CYP2A6CYP11B2KDM4EHPGDALDH1A1 | |
| SCHEMBL4910777 | 0.72 | KDM1A (0.41) | CYP11B2KDM4EHPGDALDH1A1GALR3 | |
| SCHEMBL13061701 | 0.71 | CYP2A6 (0.47) | CYP2A6CYP11B2TSHRHSD17B10PGR |
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 6 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 |
| 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 | CYP2A6 104/4885CYP11B2 81/4885KDM4E 373/4885 |
“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.