Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | KLK7 | P49862 | 1/20 | 0.30 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566745 | 0.86 | TSHR (0.32) | HTT | |
| SCHEMBL2414827 | 0.84 | ALDH1A1 (0.33) | ALDH1A1KDM4EKDM2BNR1H3HTT | |
| SCHEMBL4566627 | 0.83 | ABCC9 (0.33) | KDM4ERORC | |
| SCHEMBL2409056 | 0.82 | KDM2B (0.35) | ALDH1A1KDM4EKDM2BNR1H3HTT | |
| SCHEMBL1580761 | 0.81 | SLC40A1 (0.36) | ALDH1A1KDM4EKDM2BHTTHSD11B1 | |
| SCHEMBL4566561 | 0.81 | HTR6 (0.40) | ALDH1A1RORC | |
| Hydrochloric Acid SCHEMBL2415530 | 0.80 | SLC40A1 (0.36) | ALDH1A1KDM4EKDM2BHTTHSD11B1 | |
| SCHEMBL4566724 | 0.80 | — | — | |
| SCHEMBL2414830 | 0.80 | PTGDR2 (0.34) | ALDH1A1KDM4EKDM2BNR1H3HTT | |
| Hydrochloric Acid SCHEMBL4422685 | 0.80 | CFTR (0.30) | CFTR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |