Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL719184 | 0.92 | PDE4A (0.43) | BCHECYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL716549 | 0.89 | RAB9A (0.40) | SMN1; SMN2RAB9AALDH1A1IDO1TDO2 | |
| SCHEMBL717837 | 0.89 | RAB9A (0.39) | SMN1; SMN2RAB9AALDH1A1IDO1TDO2 | |
| SCHEMBL717877 | 0.86 | BCHE (0.42) | BCHECYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL720040 | 0.84 | NOTUM (0.46) | BCHESMN1; SMN2TSHRHSD17B10PDE4A | |
| SCHEMBL718338 | 0.84 | BCHE (0.41) | BCHECYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL716753 | 0.81 | GCGR (0.38) | ALDH1A1IDO1TDO2KDM4ERXRA | |
| SCHEMBL719683 | 0.79 | BCHE (0.42) | BCHECYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL721464 | 0.79 | KDM4E (0.42) | SMN1; SMN2RAB9AALDH1A1IDO1TDO2 | |
| SCHEMBL718337 | 0.77 | DRD3 (0.36) | CYP1A2CYP3A4CYP2C19TSHRTP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | EP | 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 (2 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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | BCHE 1649/4885CYP1A2 774/4885CYP3A4 834/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | BCHE 1649/4885CYP1A2 774/4885CYP3A4 834/4885 |
“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.