Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 3/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1708114 | 0.89 | DHFR (0.41) | DHFRAPLNRALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1708229 | 0.86 | DHFR (0.39) | DHFRPIK3R2ALDH1A1SMN1; SMN2USP2 | |
| SCHEMBL1708670 | 0.84 | CYP2D6 (0.40) | DHFR | |
| SCHEMBL1708248 | 0.82 | ALDH1A1 (0.39) | DHFRLRRK2APLNRALDH1A1POLB | |
| SCHEMBL3799725 | 0.74 | DHFR (0.33) | DHFRLRRK2APLNRALDH1A1NPC1 | |
| SCHEMBL10009690 | 0.74 | FFAR1 (0.39) | — | |
| SCHEMBL10291236 | 0.74 | FFAR1 (0.39) | — | |
| SCHEMBL3791152 | 0.73 | DHFR (0.34) | DHFRLRRK2APLNRALDH1A1NPC1 | |
| SCHEMBL10291831 | 0.73 | FFAR1 (0.34) | APLNR | |
| SCHEMBL1708237 | 0.71 | APLNR (0.34) | DHFRAPLNRALDH1A1KDM4EPTGES |
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 |
|---|---|---|---|---|---|---|---|
| US-20120172351-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-05 | — | — | US | disclosed |
| EP-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | 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-20120172351-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | GPR119, INSR, GLP1R | DHFR 4540/4885LRRK2 2199/4885APLNR 103/4885 |
“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.